Substances (GSRS)

2-PROPANOL, 1-PHENOXY-3-((2-((1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)AMINO)ETHYL)AMINO)-, (S)-

Also: DALBRAMINOL, (S)-

chemicalUNII F309I6DZ3U

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

92407ee2-b6d9-4f83-9d47-a35f41993951

Version

UNII

F309I6DZ3U

Codes

Uuid
f0ae88d6-4377-9f84-3c66-45c2f5122b8e
Code
76959364
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/76959364
Code system
PUBCHEM
References
4238ebe0-3ce6-7f6a-ab4c-b0410efbac6b
Uuid
71ab9fe9-c722-4726-96f3-8f1a15eb770a
Code
F309I6DZ3U
Type
PRIMARY
Code system
FDA UNII

Relationships

Uuid
266afc27-4da7-4645-81b0-b2723909c63e
Type
RACEMATE->ENANTIOMER
Related substance
Uuid
1c3f3082-149e-48ec-9290-b2d1455e2388
Refuuid
59b9f730-7f98-4937-9e8d-057daf90576a
Name
DALBRAMINOL
UNII
7GDN12Q42M
Linking ID
7GDN12Q42M
Ref pname
DALBRAMINOL
Substance class
reference

Names

Uuid
fd035cf7-69ae-4e68-82d1-94148834eebf
Name
2-PROPANOL, 1-PHENOXY-3-((2-((1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)AMINO)ETHYL)AMINO)-, (S)-
StdName
2-PROPANOL, 1-PHENOXY-3-((2-((1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)AMINO)ETHYL)AMINO)-, (S)-
Type
sys
Preferred
false
Display name
false
Languages
en
References
4cd33e69-857b-49b6-b04b-0aa702997af3, 4edd966b-ef9e-4b87-9cc1-1255d4f3c8e7
Uuid
4586e0d5-5128-4bb6-ae66-bcb3e2cbafb4
Name
DALBRAMINOL, (S)-
StdName
DALBRAMINOL, (S)-
Type
cn
Preferred
false
Display name
true
Languages
en
References
4cd33e69-857b-49b6-b04b-0aa702997af3, 4edd966b-ef9e-4b87-9cc1-1255d4f3c8e7

References

Uuid
4cd33e69-857b-49b6-b04b-0aa702997af3
Citation
FDA_SRS
Doc type
SRS
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
Uuid
4edd966b-ef9e-4b87-9cc1-1255d4f3c8e7
Citation
INN
Doc type
INN
Public domain
true
Tags
NOMEN
Uuid
015d3e07-885e-4f48-a24c-ba637b21e280
Citation
SRS import [F309I6DZ3U]
Url
http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=F309I6DZ3U
Doc type
SRS
Public domain
true
Document date
1493393062000
Tags
NOMEN
Uuid
4238ebe0-3ce6-7f6a-ab4c-b0410efbac6b
Citation
PUBCHEM
Doc type
PUBCHEM
Public domain
true

Moieties

Uuid
2e240460-a195-4350-86bd-658ca2c17e54
ID
2e240460-a195-4350-86bd-658ca2c17e54
Smiles
Cc1c(c(C)n(C)n1)NCCNC[C@@H](COc2ccccc2)O
Formula
C17H26N4O2
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ABSOLUTE
Defined stereo
1
Ez centers
0
Molecular weight
318.4146
Optical activity
UNSPECIFIED
Stereo centers
1
Molfile
Marvin 01132102292D 23 24 0 0 1 0 999 V2000 5.3251 -3.5982 0.0000 C 0 0 1 0 0 0 0 0 0 2 0 0 5.3251 -4.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6106 -3.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 -3.5982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1817 -3.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4672 -3.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7528 -3.1857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7528 -2.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4202 -1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2048 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1653 -1.0912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3403 -1.0912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0853 -1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2996 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0396 -3.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 -3.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4686 -3.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4686 -2.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1830 -1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8975 -2.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8975 -3.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1830 -3.5982 0.0000 C 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 16 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
56df4772-749b-483f-b77b-02ed4b176003

Structure

ID: 73b98845-dee4-4344-9afb-5b0a04cb8e3e
Smiles: Cc1c(c(C)n(C)n1)NCCNC[C@@H](COc2ccccc2)O
Formula: C17H26N4O2
Atropisomerism: No
Charge: 0
Count: 1
Stereochemistry: ABSOLUTE
Defined stereo: 1
Ez centers: 0
Molecular weight: 318.4146
Optical activity: UNSPECIFIED
Stereo centers: 1
Molfile: Marvin 01132106002D 23 24 0 0 1 0 999 V2000 6.0396 -3.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3251 -3.5982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6106 -3.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 -3.5982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1817 -3.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4672 -3.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7528 -3.1857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7528 -2.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4202 -1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1653 -1.0912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3403 -1.0912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0853 -1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2996 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2048 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3251 -4.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 -3.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4686 -3.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4686 -2.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1830 -1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8975 -2.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8975 -3.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1830 -3.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 11 12 1 0 0 0 0 8 12 2 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 9 15 1 0 0 0 0 2 16 1 0 0 0 0 1 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 18 23 2 0 0 0 0 M END
References: 4cd33e69-857b-49b6-b04b-0aa702997af3, 015d3e07-885e-4f48-a24c-ba637b21e280

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.