2-HYDROXYMETHYLETHISTERONE

Details

Stereochemistry	UNKNOWN
Molecular Formula	C22H30O3
Molecular Weight	342.4718
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C(CO)C[C@]34C

InChI

InChIKey=JGJFMZZHCOKXHX-DUGPHZPDSA-N

InChI=1S/C22H30O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,14,16-18,23,25H,5-10,12-13H2,2-3H3/t14?,16-,17+,18+,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H30O3
Molecular Weight	342.4718
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
The absorption, distribution and metabolic fate of danazol in rats, monkeys and human volunteers.	1976 Jun	822792
A comparison of the effects of danazol and gestrinone on testosterone binding to sex hormone binding globulin in vitro and in vivo.	1986 May	3641693
The inhibitory effects of danazol, danazol metabolites, gestrinone, and testosterone on the growth of human endometrial cells in vitro.	1988 Feb	3338580

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:14:55 GMT 2023` Edited by `admin` on `Sat Dec 16 09:14:55 GMT 2023`
Record UNII	57959QO1M0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-HYDROXYMETHYLETHISTERONE

Common Name

English

PREGN-4-EN-20-YN-3-ONE, 17-HYDROXY-2-(HYDROXYMETHYL)-, (17.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

53953943

Created by admin on Sat Dec 16 09:14:56 GMT 2023 , Edited by admin on Sat Dec 16 09:14:56 GMT 2023

PRIMARY

FDA UNII

57959QO1M0

Created by admin on Sat Dec 16 09:14:56 GMT 2023 , Edited by admin on Sat Dec 16 09:14:56 GMT 2023

PRIMARY

CAS

67110-85-4

Created by admin on Sat Dec 16 09:14:56 GMT 2023 , Edited by admin on Sat Dec 16 09:14:56 GMT 2023

PRIMARY

Related Record Type Details


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DANAZOL

PARENT -> METABOLITE

Interaction Type:

MAJOR

Qualification:

PLASMA