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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34N2O4
Molecular Weight 402.5271
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FINASTERIDE CARBOXYLIC ACID

SMILES

[H][C@@]12CC[C@H](C(=O)NC(C)(C)C(O)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])NC(=O)C=C[C@]34C

InChI

InChIKey=OFTBMAPJHKDDJV-MKMSXTRJSA-N
InChI=1S/C23H34N2O4/c1-21(2,20(28)29)25-19(27)16-7-6-14-13-5-8-17-23(4,12-10-18(26)24-17)15(13)9-11-22(14,16)3/h10,12-17H,5-9,11H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)/t13-,14-,15-,16+,17+,22-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H34N2O4
Molecular Weight 402.5271
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:44:59 UTC 2023
Edited
by admin
on Sat Dec 16 08:44:59 UTC 2023
Record UNII
K71S04GO1T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FINASTERIDE CARBOXYLIC ACID
Common Name English
ALANINE, 2-METHYL-N-(((4AR,4BS,6AS,7S,9AS,9BS,11AR)-2,4A,4B,5,6,6A,7,8,9,9A,9B,10,11,11A-TETRADECAHYDRO-4A,6A-DIMETHYL-2-OXO-1H-INDENO(5,4-F)QUINOLIN-7-YL)CARBONYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10595331
Created by admin on Sat Dec 16 08:45:00 UTC 2023 , Edited by admin on Sat Dec 16 08:45:00 UTC 2023
PRIMARY
PUBCHEM
18632991
Created by admin on Sat Dec 16 08:45:00 UTC 2023 , Edited by admin on Sat Dec 16 08:45:00 UTC 2023
PRIMARY
FDA UNII
K71S04GO1T
Created by admin on Sat Dec 16 08:45:00 UTC 2023 , Edited by admin on Sat Dec 16 08:45:00 UTC 2023
PRIMARY
CAS
116285-37-1
Created by admin on Sat Dec 16 08:45:00 UTC 2023 , Edited by admin on Sat Dec 16 08:45:00 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
via the cytochrome P450 3A4 enzyme subfamily
MAJOR
URINE