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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H22F6N2O2
Molecular Weight 508.4555
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYL-6,8,10-TRIENE DUTASTERIDE

SMILES

[H][C@@]12CC[C@H](C(=O)NC3=CC(=CC=C3C(F)(F)F)C(F)(F)F)[C@@]1(C)CCC4=C5C=CC(=O)NC5=CC=C24

InChI

InChIKey=NTHPTTDPVCTXML-PDOGEWKWSA-N
InChI=1S/C26H22F6N2O2/c1-24-11-10-14-15(3-8-20-16(14)4-9-22(35)33-20)17(24)6-7-19(24)23(36)34-21-12-13(25(27,28)29)2-5-18(21)26(30,31)32/h2-5,8-9,12,17,19H,6-7,10-11H2,1H3,(H,33,35)(H,34,36)/t17-,19+,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H22F6N2O2
Molecular Weight 508.4555
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:19:40 GMT 2023
Edited
by admin
on Sat Dec 16 08:19:40 GMT 2023
Record UNII
QC3Z5Q69ES
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESMETHYL-6,8,10-TRIENE DUTASTERIDE
Common Name English
DESMETHYLDUTASTERIDE
Common Name English
17.BETA.-N-(2,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL-3-HYDROXYL-4-AZAESTRA-1,3,5,7,9-PENTAENE
Systematic Name English
(6AS,7S,9AR)-N-(2,5-BIS(TRIFLUOROMETHYL)PHENYL)-2,5,6,6A,7,8,9,9A-OCTAHYDRO-6A-METHYL-2-OXO-1H-INDENO(5,4-F)QUINOLINE-7-CARBOXAMIDE
Systematic Name English
1H-INDENO(5,4-F)QUINOLINE-7-CARBOXAMIDE, N-(2,5-BIS(TRIFLUOROMETHYL)PHENYL)-2,5,6,6A,7,8,9,9A-OCTAHYDRO-6A-METHYL-2-OXO-, (6AS,7S,9AR)-
Systematic Name English
Code System Code Type Description
PUBCHEM
24794608
Created by admin on Sat Dec 16 08:19:40 GMT 2023 , Edited by admin on Sat Dec 16 08:19:40 GMT 2023
PRIMARY
FDA UNII
QC3Z5Q69ES
Created by admin on Sat Dec 16 08:19:40 GMT 2023 , Edited by admin on Sat Dec 16 08:19:40 GMT 2023
PRIMARY
CAS
952718-75-1
Created by admin on Sat Dec 16 08:19:40 GMT 2023 , Edited by admin on Sat Dec 16 08:19:40 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY