Xilmenolone

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H37N3O2
Molecular Weight	423.5909
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1C[C@H](C(=O)CN2C=CC(=N2)C#N)[C@@]3(C)CC[C@H]4[C@@H](CC[C@@H]5C[C@](C)(O)CC[C@H]45)[C@H]13

InChI

InChIKey=CYFXJTXRUOTXDL-GNBMMUGASA-N

InChI=1S/C26H37N3O2/c1-16-12-22(23(30)15-29-11-8-18(14-27)28-29)26(3)10-7-20-19-6-9-25(2,31)13-17(19)4-5-21(20)24(16)26/h8,11,16-17,19-22,24,31H,4-7,9-10,12-13,15H2,1-3H3/t16-,17-,19+,20-,21-,22-,24+,25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H37N3O2
Molecular Weight	423.5909
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:47:31 GMT 2025` Edited by `admin` on `Wed Apr 02 14:47:31 GMT 2025`
Record UNII	6B3TGU8JKY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

xilmenolone [INN]

Preferred Name

English

Xilmenolone

Official Name

English

1-(3?-hydroxy-3?,15?-dimethyl-20-oxo-19-nor-5?- pregnan-21-yl)-1H-pyrazole-3-carbonitrile

Systematic Name

English

1H-Pyrazole-4-carbonitrile, 1-[(3?,5?,15?)-3-hydroxy-3,15-dimethyl-20-oxo-19-norpregnan-21-yl]-

Systematic Name

English

Code System Code Type Description

SMS_ID

300000050081