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

[H][C@@]12[C@H](C)C[C@H](C(=O)CN3C=CC(=N3)C#N)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC[C@]5([H])C[C@](C)(O)CC[C@]45[H]

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 `Sat Dec 16 19:17:35 GMT 2023` Edited by `admin` on `Sat Dec 16 19:17:35 GMT 2023`
Record UNII	6B3TGU8JKY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Xilmenolone

Official Name

English

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

Systematic Name

English

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

Systematic Name

English

xilmenolone [INN]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C190360