10-DEACETYL ADROGOLIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H23NO3S
Molecular Weight	357.467
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCC3=CC(OC(C)=O)=C(O)C=C3[C@@]1([H])C4=C(CN2)SC(CCC)=C4

InChI

InChIKey=UPBWWZKWFQBCML-UZLBHIALSA-N

InChI=1S/C20H23NO3S/c1-3-4-13-8-15-19(25-13)10-21-16-6-5-12-7-18(24-11(2)22)17(23)9-14(12)20(15)16/h7-9,16,20-21,23H,3-6,10H2,1-2H3/t16-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H23NO3S
Molecular Weight	357.467
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:58:30 UTC 2023` Edited by `admin` on `Sat Dec 16 13:58:30 UTC 2023`
Record UNII	8A7U66KA5U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

10-DEACETYL ADROGOLIDE

Common Name

English

(-)-TRANS 9-ACETYLOXY-10-HYDROXY-2-PROPYL-4,5,5A,6,7,11B-HEXAHYDRO-3-THIA-5- AZACYCLOPENT-1-ENA(C)PHENANTHRENE

Systematic Name

English

BENZO(F)THIENO(2,3-C)QUINOLINE-9,10-DIOL, 4,5,5A,6,7,11B-HEXAHYDRO-2-PROPYL-, 9-ACETATE, (5AR,11BS)-

Systematic Name

English

A-86929 MONOACETATE 2

Code

English

A-86929.1 MONOACETATE 2 FREE BASE

Code

English

Code System Code Type Description

PUBCHEM

9975615

Created by admin on Sat Dec 16 13:58:31 UTC 2023 , Edited by admin on Sat Dec 16 13:58:31 UTC 2023

PRIMARY

CAS

1026654-03-4

Created by admin on Sat Dec 16 13:58:31 UTC 2023 , Edited by admin on Sat Dec 16 13:58:31 UTC 2023

PRIMARY

FDA UNII

8A7U66KA5U

Created by admin on Sat Dec 16 13:58:31 UTC 2023 , Edited by admin on Sat Dec 16 13:58:31 UTC 2023

PRIMARY

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A-86929 MONOACETATE 2 HYDROCHLORIDE

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