Substances (GSRS)

4-AMINO-1-(3-O-((2S)-2-AMINO-3-METHYLBUTANOYL)-2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(…

Also: L-VALINE, 3'-ESTER WITH 4-AMINO-1-(2-DEOXY-.BETA.-L-ERYTHRO-PENTOFURANOSYL)-2(1H)-PYRIMIDINONE, DIHYDROCHLORIDE, NM-147, VALTORCITABINE DIH…

chemicalUNII 5816OWJ81W

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

0cc63504-87ab-42aa-8d5d-7dfc5b126069

Version

UNII

5816OWJ81W

Codes

Uuid
e7e8380b-b679-4f8c-a6a8-55b0cf017157
Code
359689-54-6
Type
PRIMARY
Url
https://commonchemistry.cas.org/detail?cas_rn=359689-54-6
Code system
CAS
References
fbe0a60c-def9-4760-bb94-d05e20f08e67, fd887f7a-ea2c-4ab6-8175-39dd4c7d7cf8
Uuid
f80f7180-6add-49a7-baba-651530447887
Code
C90788
Type
PRIMARY
Url
https://ncit.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI%20Thesaurus&code=C90788
Code system
NCI_THESAURUS
References
fbe0a60c-def9-4760-bb94-d05e20f08e67
Uuid
01acefb5-80fa-4895-a47a-9c15a6e785a0
Code
CHEMBL2106499
Type
PRIMARY
Url
https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2106499
Code system
ChEMBL
References
fbe0a60c-def9-4760-bb94-d05e20f08e67
Uuid
ec475239-bd45-4b31-b9db-32f4b5dffdbe
Code
23725063
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/23725063
Code system
PUBCHEM
References
fbe0a60c-def9-4760-bb94-d05e20f08e67
Uuid
c87bc11b-ae47-60ce-9d2b-5d2e64cd6bd4
Code
C281
Comments
Pharmacologic Substance[C1909]|Anti-Infective Agent[C254]|Antiviral Agent
Type
CONCEPT
Url
https://ncit.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI%20Thesaurus&code=C281
Code system
NCI_THESAURUS
References
f02ad827-5cd1-f504-980e-80444dfbb9d2
Uuid
732d990e-b00f-ec84-6d01-1acd0d030c26
Code
C29575
Comments
Pharmacologic Substance[C1909]|Enzyme Inhibitor[C471]|DNA Polymerase Inhibitor
Type
CONCEPT
Url
https://ncit.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI%20Thesaurus&code=C29575
Code system
NCI_THESAURUS
References
f02ad827-5cd1-f504-980e-80444dfbb9d2
Uuid
9688ac6e-5a7d-2955-a0c9-7ab63b8c880c
Code
DBSALT002862
Type
PRIMARY
Url
https://go.drugbank.com/drugs/DBSALT002862
Code system
DRUG BANK
References
f02ad827-5cd1-f504-980e-80444dfbb9d2
Uuid
8fc97b60-6a04-4177-8ba4-0ec26aeb6177
Code
5816OWJ81W
Type
PRIMARY
Code system
FDA UNII
Uuid
d474f09a-0b42-c22e-48b9-5faa92a7ed9f
Code
300000037067
Type
PRIMARY
Code system
SMS_ID
References
47954fd5-6c6f-8dc7-d000-bfbf78765ff3
Uuid
7a2d1792-3e60-d555-ad85-0f82033cec84
Code
OO-43
Type
PRIMARY
Url
https://searchusan.ama-assn.org/finder/usan/search/OO-43/relevant/1/
Code system
USAN
References
4534c869-bfe9-c571-8816-1bb0f9412f73
Uuid
5a419f25-ae49-3fd5-9446-7d72a62632f3
Code
DTXSID90957392
Type
PRIMARY
Url
https://comptox.epa.gov/dashboard/chemical/details/DTXSID90957392
Code system
EPA CompTox
References
f02ad827-5cd1-f504-980e-80444dfbb9d2

Relationships

Uuid
2aef857b-8481-49fc-a494-783ab3bcffe6
Type
ACTIVE MOIETY
Related substance
Uuid
7a0d2cd7-ff19-429a-bf4a-ff6b4e493104
Refuuid
d5eb2b4e-3231-4d7e-b08d-9ffc16bc4ce2
Name
TORCITABINE
UNII
6BZN07BMW3
Linking ID
6BZN07BMW3
Ref pname
TORCITABINE
Substance class
reference
Uuid
43747c26-c8d5-47de-a05d-e2d37267a705
Type
PARENT->SALT/SOLVATE
Related substance
Uuid
bae171ff-0ea4-4966-bf97-064327ca45d9
Refuuid
26b8cd28-b183-4f0c-b0bd-1bdacc121166
Name
VALTORCITABINE
UNII
D5YQG6AQXP
Linking ID
D5YQG6AQXP
Ref pname
VALTORCITABINE
Substance class
reference

Names

Uuid
4329650b-2db3-442b-9044-5ef9eecd4cef
Name
4-AMINO-1-(3-O-((2S)-2-AMINO-3-METHYLBUTANOYL)-2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE DIHYDROCHLORIDE
StdName
4-AMINO-1-(3-O-((2S)-2-AMINO-3-METHYLBUTANOYL)-2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE DIHYDROCHLORIDE
Type
sys
Preferred
false
Display name
false
Languages
en
References
61a597fb-ff53-45f5-ba5c-d317a6b47ca0
Uuid
2719be63-5f3e-41c6-9944-0fa2a4cbdb4e
Name
L-VALINE, 3'-ESTER WITH 4-AMINO-1-(2-DEOXY-.BETA.-L-ERYTHRO-PENTOFURANOSYL)-2(1H)-PYRIMIDINONE, DIHYDROCHLORIDE
StdName
L-VALINE, 3'-ESTER WITH 4-AMINO-1-(2-DEOXY-.BETA.-L-ERYTHRO-PENTOFURANOSYL)-2(1H)-PYRIMIDINONE, DIHYDROCHLORIDE
Type
sys
Preferred
false
Display name
false
Languages
en
References
549864f2-c399-4d90-8f90-c9cbc05205f8, c8de913e-64e8-4e37-8ed5-81464c241c32
Uuid
65b08a67-ed08-426d-bf1d-4f1d6184c43a
Name
NM-147
StdName
NM-147
Type
cd
Preferred
false
Display name
false
Languages
en
References
61a597fb-ff53-45f5-ba5c-d317a6b47ca0
Uuid
a7178ae5-bf93-45a0-8f06-c5b22cd96a5c
Name
VALTORCITABINE DIHYDROCHLORIDE
StdName
VALTORCITABINE DIHYDROCHLORIDE
Type
of
Preferred
false
Display name
true
Languages
en
References
95cd4bcf-5265-4f02-ada8-db87a6bc7a9c, a21d2b35-f8d3-4edf-9d97-bd63096a8eaa, 3835b2b4-4f80-4602-bd09-737bc4445a55
Domains
drug
Name orgs
1. Uuid
  c35c4b02-aaed-42fd-8221-3255e7e94423
  Name org
  USAN
Uuid
cd4dd22a-c63e-4baf-a718-e6a90b10189c
Name
VALTORCITABINE DIHYDROCHLORIDE [USAN]
StdName
VALTORCITABINE DIHYDROCHLORIDE [USAN]
Type
cn
Preferred
false
Display name
false
Languages
en
References
95cd4bcf-5265-4f02-ada8-db87a6bc7a9c

References

Uuid
a21d2b35-f8d3-4edf-9d97-bd63096a8eaa
Citation
USP DICTIONARY 2009
Doc type
SRS
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
Uuid
61a597fb-ff53-45f5-ba5c-d317a6b47ca0
Citation
USP DICTIONARY 2010
Doc type
SRS
Public domain
true
Tags
NOMEN
Uuid
95cd4bcf-5265-4f02-ada8-db87a6bc7a9c
Citation
USP DICTIONARY 2011
Doc type
SRS
Public domain
true
Tags
NOMEN
Uuid
549864f2-c399-4d90-8f90-c9cbc05205f8
Citation
STN
Doc type
SRS
Public domain
true
Tags
NOMEN
Uuid
c8de913e-64e8-4e37-8ed5-81464c241c32
Citation
STN (SCIFINDER)
Doc type
STN (SCIFINDER)
Public domain
true
Tags
NOMEN
Uuid
fbe0a60c-def9-4760-bb94-d05e20f08e67
Citation
SRS CODE IMPORT
Doc type
SRS
Public domain
true
Document date
1493390314000
Tags
NOMEN
Uuid
a19aac85-364f-4aff-923a-1f8c6c87dc30
Citation
SRS import [5816OWJ81W]
Url
http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=5816OWJ81W
Doc type
SRS
Public domain
true
Document date
1493390314000
Tags
NOMEN
Uuid
3835b2b4-4f80-4602-bd09-737bc4445a55
Citation
VALTORCITABINE DIHYDROCHLORIDE [USAN]
Doc type
SRS_LOCATOR
Public domain
true
Uuid
47954fd5-6c6f-8dc7-d000-bfbf78765ff3
Citation
EU-SRS
Doc type
EMA LIST
Public domain
true
Uuid
f02ad827-5cd1-f504-980e-80444dfbb9d2
Doc type
SYSTEM
Public domain
true
Uuid
2bfe204e-53d0-b66f-9eae-1595b823fa74
Citation
USAN COUN 2002
Doc type
USANCOUN
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE
Uuid
fd887f7a-ea2c-4ab6-8175-39dd4c7d7cf8
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true
+1 more not shown

Moieties

Uuid
1abce456-358e-4c53-91b1-a4bfa289981f
ID
1abce456-358e-4c53-91b1-a4bfa289981f
Molfile
Marvin 01132101342D 1 0 0 0 1 0 999 V2000 -3.0735 -0.1127 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 M END
Smiles
Cl
Formula
ClH
Atropisomerism
No
Charge
0
Count
2
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
36.4609
Optical activity
NONE
Stereo centers
0
Count amount
Type
MOL RATIO
Average
2
Units
MOL RATIO
Uuid
bfcb0b05-a3e7-458b-a66a-9581e0bb735d
Uuid
d6c8b0b4-24a9-4b82-b87f-e1ab326e81c3
ID
d6c8b0b4-24a9-4b82-b87f-e1ab326e81c3
Smiles
CC(C)[C@@H](C(=O)O[C@@H]1C[C@@H](n2ccc(N)nc2=O)O[C@H]1CO)N
Formula
C14H22N4O5
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ABSOLUTE
Defined stereo
4
Ez centers
0
Molecular weight
326.3488
Optical activity
UNSPECIFIED
Stereo centers
4
Molfile
Marvin 01132111082D 23 24 0 0 1 0 999 V2000 6.3732 -2.2138 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 7.1911 -2.1055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0581 -2.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2402 -3.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5608 -3.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8705 -1.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1857 -0.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 -1.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4983 -0.6763 0.0000 C 0 0 2 0 0 0 0 0 0 1 0 0 3.6827 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5489 0.2622 0.0000 C 0 0 2 0 0 0 0 0 0 2 0 0 4.2818 0.6409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8685 0.0609 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 5.6826 0.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3839 -0.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8117 0.6324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7637 1.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 1.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 1.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 1.7432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3851 0.5494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1224 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1703 -0.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 6 1 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 13 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 17 16 1 0 0 0 0 22 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 21 19 2 0 0 0 0 22 21 1 0 0 0 0 22 23 2 0 0 0 0 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
7c7c29c0-fa89-43cf-9c65-048b13e8afa2

Structure

ID: f014ad63-cccc-4a30-8212-cb81ac3cee68
Smiles: CC(C)[C@@H](C(=O)O[C@@H]1C[C@@H](n2ccc(N)nc2=O)O[C@H]1CO)N.Cl.Cl
Formula: C14H22N4O5.2ClH
Atropisomerism: No
Charge: 0
Count: 1
Stereochemistry: ABSOLUTE
Defined stereo: 4
Ez centers: 0
Molecular weight: 399.2706
Optical activity: UNSPECIFIED
Stereo centers: 4
Molfile: Marvin 01132112272D 25 24 0 0 1 0 999 V2000 -3.0735 -0.1127 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8705 -1.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1911 -2.1055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3732 -2.2138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0581 -2.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2402 -3.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5608 -3.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1857 -0.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1224 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3851 0.5494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 1.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 1.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7637 1.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8117 0.6324 0.0000 N 0 0 2 0 0 0 0 0 0 0 0 0 2.1703 -0.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5489 0.2622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4983 -0.6763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8770 -1.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8685 0.0609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2818 0.6409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6826 0.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3839 -0.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6827 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 1.7432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0735 -0.1127 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 8 2 0 0 0 0 4 3 1 1 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 9 14 1 0 0 0 0 9 15 2 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 1 0 0 0 21 22 1 0 0 0 0 17 23 1 0 0 0 0 16 23 1 0 0 0 0 16 20 1 0 0 0 0 16 14 1 1 0 0 0 11 24 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 2 18 1 0 0 0 0 5 7 1 0 0 0 0 M STY 1 1 MUL M SCN 1 1 HT M SAL 1 2 1 25 M SPA 1 1 1 M SDI 1 4 -3.4935 -0.5327 -3.4935 0.3073 M SDI 1 4 -2.6535 0.3073 -2.6535 -0.5327 M SMT 1 2 M END
References: a19aac85-364f-4aff-923a-1f8c6c87dc30, 61a597fb-ff53-45f5-ba5c-d317a6b47ca0

Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.