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

Substance Class	Chemical Created by `admin` on `Thu Jul 06 14:44:09 UTC 2023` Edited by `admin` on `Thu Jul 06 14:44:09 UTC 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 Thu Jul 06 14:44:10 UTC 2023 , Edited by admin on Thu Jul 06 14:44:10 UTC 2023

PRIMARY

FDA UNII

57959QO1M0

Created by admin on Thu Jul 06 14:44:10 UTC 2023 , Edited by admin on Thu Jul 06 14:44:10 UTC 2023

PRIMARY

CAS

67110-85-4

Created by admin on Thu Jul 06 14:44:10 UTC 2023 , Edited by admin on Thu Jul 06 14:44:10 UTC 2023

PRIMARY

Related Record Type Details


					N29QWW3BUO

DANAZOL

PARENT -> METABOLITE

Interaction Type:

MAJOR

Qualification:

PLASMA