Substances (GSRS)

2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-CHLORO-

Also: 2-Chloro-2,4,6-cycloheptatrien-1-one, 2-Chlorocyclohepta-2,4,6-trienone, 2-Chlorocycloheptatrienone +2

chemicalUNII 7Y65UFZ23T

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

cbae43ca-a3d9-4232-b274-9fd4a93863fb

Version

UNII

7Y65UFZ23T

Codes

Uuid
3fcb5be2-1fa1-4eab-a781-13f76daad659
Code
3839-48-3
Type
PRIMARY
Url
https://commonchemistry.cas.org/detail?cas_rn=3839-48-3
Code system
CAS
References
5bad919d-3bc8-4926-9ccc-5f2aa9077487, 30a1b670-4296-4fb0-a9bd-6605ca561731
Uuid
68972384-c04a-4194-9d5b-099089bdc127
Code
19691
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/19691
Code system
PUBCHEM
References
5bad919d-3bc8-4926-9ccc-5f2aa9077487
Uuid
6e960353-bdf1-b7e6-a291-e60710297f63
Code
DTXSID90191734
Type
PRIMARY
Url
https://comptox.epa.gov/dashboard/chemical/details/DTXSID90191734
Code system
EPA CompTox
References
6ba92734-a327-198b-d2c5-3f26a55ed27c
Uuid
845d3a50-3316-4f05-adcc-04fb62694980
Code
7Y65UFZ23T
Type
PRIMARY
Code system
FDA UNII
References
30a1b670-4296-4fb0-a9bd-6605ca561731
Uuid
f6c9ca70-bdf3-baca-cf8e-6786507bdfaf
Code
328816
Type
PRIMARY
Url
https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=328816
Code system
NSC
References
3262e055-3455-f8b2-e15a-3a226a31b9e4

Names

Uuid
05200fc2-0fe9-4caa-8444-76808704fb3a
Name
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-CHLORO-
StdName
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-CHLORO-
Type
sys
Preferred
false
Display name
false
Languages
en
References
bb475fd3-b17b-4a64-a50a-0766f4d5fd82, c14a1b64-b4e3-4245-b70b-a0fb0396405b
Uuid
13ab496a-dfa8-4205-9370-81ea3a5b364c
Name
2-Chloro-2,4,6-cycloheptatrien-1-one
StdName
2-CHLORO-2,4,6-CYCLOHEPTATRIEN-1-ONE
Type
sys
Preferred
false
Display name
false
Languages
en
References
30a1b670-4296-4fb0-a9bd-6605ca561731
Uuid
3a4ef2bb-e53f-462e-be45-a87502f9264b
Name
2-Chlorocyclohepta-2,4,6-trienone
StdName
2-CHLOROCYCLOHEPTA-2,4,6-TRIENONE
Type
sys
Preferred
false
Display name
true
Languages
en
References
30a1b670-4296-4fb0-a9bd-6605ca561731
Uuid
8058c1f9-0092-40a3-8b82-103d97a1d7a7
Name
2-Chlorocycloheptatrienone
StdName
2-CHLOROCYCLOHEPTATRIENONE
Type
sys
Preferred
false
Display name
false
Languages
en
References
30a1b670-4296-4fb0-a9bd-6605ca561731
Uuid
e3e4a11c-7779-4b8f-a301-e3695480f990
Name
2-Chlorotropone
StdName
2-CHLOROTROPONE
Type
cn
Preferred
false
Display name
false
Languages
en
References
30a1b670-4296-4fb0-a9bd-6605ca561731
Uuid
73f4b84e-b3c2-4e52-9a2b-74ac42a43e38
Name
NSC-328816
StdName
NSC-328816
Type
cd
Preferred
false
Display name
false
Languages
en
References
bb475fd3-b17b-4a64-a50a-0766f4d5fd82, c14a1b64-b4e3-4245-b70b-a0fb0396405b

References

Uuid
bb475fd3-b17b-4a64-a50a-0766f4d5fd82
Citation
CHEMID
Doc type
SRS
Public domain
true
Tags
NOMEN
Uuid
c14a1b64-b4e3-4245-b70b-a0fb0396405b
Citation
CHEMID
Doc type
CHEMID
Public domain
true
Tags
NOMEN
Uuid
5bad919d-3bc8-4926-9ccc-5f2aa9077487
Citation
SRS CODE IMPORT
Doc type
SRS
Public domain
true
Document date
1493394205000
Tags
NOMEN
Uuid
6ba92734-a327-198b-d2c5-3f26a55ed27c
Citation
WEBSITE
Url
https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=3839-48-3
Doc type
WEBSITE
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE
Uuid
07551003-355c-4936-b213-f26936a95d4d
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true
Tags
PUBLIC_DOMAIN_RELEASE
Uuid
30a1b670-4296-4fb0-a9bd-6605ca561731
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true
Tags
PUBLIC_DOMAIN_RELEASE
Uuid
3262e055-3455-f8b2-e15a-3a226a31b9e4
Citation
NCI
Doc type
NCI DRUG DICTIONARY
Public domain
true

Moieties

Uuid
c340e502-159e-4b6d-a04b-5015a354f8e7
ID
c340e502-159e-4b6d-a04b-5015a354f8e7
Smiles
c1ccc(c(=O)cc1)Cl
Formula
C7H5ClO
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
140.5672
Optical activity
NONE
Stereo centers
0
Molfile
Marvin 01132110052D 9 9 0 0 0 0 999 V2000 1.2660 0.7320 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7461 -0.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2405 -1.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5845 -1.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0966 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8962 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1397 0.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1397 1.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 2 0 0 0 0 8 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 6 5 1 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 8 9 2 0 0 0 0 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
696bea1a-7487-4bf5-b267-ccbab2ce4b52

Structure

ID: 7cdec927-a751-43bd-969d-b95321da601c
Smiles: c1ccc(c(=O)cc1)Cl
Formula: C7H5ClO
Atropisomerism: No
Charge: 0
Count: 1
Stereochemistry: ACHIRAL
Defined stereo: 0
Ez centers: 0
Molecular weight: 140.5672
Optical activity: NONE
Stereo centers: 0
Molfile: 2-Chloro-2,4,6-cycloheptatrien-1-one JSDraw212092210542D 9 9 0 0 0 0 0 V2000 27.0327 -7.2596 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 25.7685 -9.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4727 -7.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7958 -8.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7958 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2749 -9.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2749 -5.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0553 -8.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0553 -6.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 M END
References: bb475fd3-b17b-4a64-a50a-0766f4d5fd82, 30a1b670-4296-4fb0-a9bd-6605ca561731

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.