STS-825

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H23NO2
Molecular Weight	309.4021
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC=C3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1CC[C@@]2(O)CC#N

InChI

InChIKey=LPEAVAOTAWKUPC-FUMNGEBKSA-N

InChI=1S/C20H23NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h3,5-6,12,17-18,22-23H,2,4,7-10H2,1H3/t17-,18+,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H23NO2
Molecular Weight	309.4021
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 00:05:28 GMT 2025` Edited by `admin` on `Wed Apr 02 00:05:28 GMT 2025`
Record UNII	7T4537YE2X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

STS-825

Code

English

STS 825

Preferred Name

English

DIENOGEST METABOLITE (STS 825)

Common Name

English

2-((8S,13S,14S,17R)-3,17-DIHYDROXY-13-METHYL-7,8,12,14,15,16-HEXAHYDRO-6H-CYCLOPENTA(A)PHENANTHREN-17-YL)ACETONITRILE

Systematic Name

English

19-NORPREGNA-1,3,5(10),9(11)-TETRAENE-21-NITRILE, 3,17-DIHYDROXY-, (17.ALPHA.)-

Systematic Name

English

17.ALPHA.-CYANOMETHYLESTRA-1,3,5(10),9(11)-TETRAENE-3,17.BETA.-DIOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

54045351

Created by admin on Wed Apr 02 00:05:28 GMT 2025 , Edited by admin on Wed Apr 02 00:05:28 GMT 2025

PRIMARY

CAS

86153-38-0

Created by admin on Wed Apr 02 00:05:28 GMT 2025 , Edited by admin on Wed Apr 02 00:05:28 GMT 2025

PRIMARY

FDA UNII

7T4537YE2X

Created by admin on Wed Apr 02 00:05:28 GMT 2025 , Edited by admin on Wed Apr 02 00:05:28 GMT 2025

PRIMARY

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