U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H30Cl2FNO3
Molecular Weight 554.479
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMCENESTRANT

SMILES

OC(=O)C1=CC=C2C(CCCC(C3=CC=C(Cl)C=C3Cl)=C2C4=CC=C(O[C@H]5CCN(CCCF)C5)C=C4)=C1

InChI

InChIKey=KISZAGQTIXIVAR-VWLOTQADSA-N
InChI=1S/C31H30Cl2FNO3/c32-23-8-12-27(29(33)18-23)28-4-1-3-21-17-22(31(36)37)7-11-26(21)30(28)20-5-9-24(10-6-20)38-25-13-16-35(19-25)15-2-14-34/h5-12,17-18,25H,1-4,13-16,19H2,(H,36,37)/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H30Cl2FNO3
Molecular Weight 554.479
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:03:56 GMT 2023
Edited
by admin
on Sat Dec 16 17:03:56 GMT 2023
Record UNII
TBF1NHY02O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMCENESTRANT
INN   USAN  
Official Name English
8-(2,4-DICHLOROPHENYL)-9-(4-(((3S)-1-(3-FLUOROPROPYL)PYRROLIDIN-3-YL)OXY)PHENYL)-6,7-DIHYDRO-5H-BENZO(7)ANNULENE-3-CARBOXYLIC ACID
Systematic Name English
AMCENESTRANT [JAN]
Common Name English
5H-BENZOCYCLOHEPTENE-3-CARBOXYLIC ACID, 8-(2,4-DICHLOROPHENYL)-9-(4-(((3S)-1-(3-FLUOROPROPYL)-3-PYRROLIDINYL)OXY)PHENYL)-6,7-DIHYDRO-
Systematic Name English
SAR-439859
Code English
AMCENESTRANT [USAN]
Common Name English
Amcenestrant [WHO-DD]
Common Name English
SAR439859
Code English
8-(2,4-DICHLOROPHENYL)-9-(4-(((3S)-1-(3-FLUOROPROPYL)-3-PYRROLIDINYL)OXY)PHENYL)-6,7-DIHYDRO-5H-BENZOCYCLOHEPTENE-3-CARBOXYLIC ACID
Systematic Name English
amcenestrant [INN]
Common Name English
Code System Code Type Description
FDA UNII
TBF1NHY02O
Created by admin on Sat Dec 16 17:03:56 GMT 2023 , Edited by admin on Sat Dec 16 17:03:56 GMT 2023
PRIMARY
CAS
2114339-57-8
Created by admin on Sat Dec 16 17:03:56 GMT 2023 , Edited by admin on Sat Dec 16 17:03:56 GMT 2023
PRIMARY
PUBCHEM
130232326
Created by admin on Sat Dec 16 17:03:56 GMT 2023 , Edited by admin on Sat Dec 16 17:03:56 GMT 2023
PRIMARY
NCI_THESAURUS
C174915
Created by admin on Sat Dec 16 17:03:56 GMT 2023 , Edited by admin on Sat Dec 16 17:03:56 GMT 2023
PRIMARY
SMS_ID
300000024164
Created by admin on Sat Dec 16 17:03:56 GMT 2023 , Edited by admin on Sat Dec 16 17:03:56 GMT 2023
PRIMARY
INN
11312
Created by admin on Sat Dec 16 17:03:56 GMT 2023 , Edited by admin on Sat Dec 16 17:03:56 GMT 2023
PRIMARY
USAN
JK-174
Created by admin on Sat Dec 16 17:03:56 GMT 2023 , Edited by admin on Sat Dec 16 17:03:56 GMT 2023
PRIMARY
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