ADROGOLIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H25NO4S
Molecular Weight	399.503
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(OC(C)=O)C=C3[C@@]1([H])C4=C(CN2)SC(CCC)=C4

InChI

InChIKey=KTEBZVJGMARTOQ-GCJKJVERSA-N

InChI=1S/C22H25NO4S/c1-4-5-15-9-17-21(28-15)11-23-18-7-6-14-8-19(26-12(2)24)20(27-13(3)25)10-16(14)22(17)18/h8-10,18,22-23H,4-7,11H2,1-3H3/t18-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H25NO4S
Molecular Weight	399.503
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 `Fri Dec 15 16:19:04 UTC 2023` Edited by `admin` on `Fri Dec 15 16:19:04 UTC 2023`
Record UNII	YC3281G42A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ADROGOLIDE

Official Name

English

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

Common Name

English

adrogolide [INN]

Common Name

English

(5AR,11BS)-4,5,5A,6,7,11B-HEXAHYDRO-2-PROPYLBENZO(F)THIENOL(2,3-C)QUINOLINE-9,10-DIOL DIACETATE (ESTER)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66884