Potassium [[(3E)-20-oxopregn-4-en-3-ylidene]amino]oxy]acetic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H32NO4.K
Molecular Weight	425.6028
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Potassium [[(3E)-20-oxopregn-4-en-3-ylidene]amino]oxy]acetic acid

Structure Search

SMILES

[K+].[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=C\C(CC[C@]34C)=N\OCC([O-])=O

InChI

InChIKey=PBPKEKVELFWZEA-FGXXCRPOSA-M

InChI=1S/C23H33NO4.K/c1-14(25)18-6-7-19-17-5-4-15-12-16(24-28-13-21(26)27)8-10-22(15,2)20(17)9-11-23(18,19)3;/h12,17-20H,4-11,13H2,1-3H3,(H,26,27);/q;+1/p-1/b24-16+;/t17-,18+,19-,20-,22-,23+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C23H32NO4
Molecular Weight	386.5045
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:20:57 GMT 2023` Edited by `admin` on `Sat Dec 16 19:20:57 GMT 2023`
Record UNII	XA445KX2NQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Potassium [[(3E)-20-oxopregn-4-en-3-ylidene]amino]oxy]acetic acid

Systematic Name

English

Acetic acid, [[[(3E)-20-oxopregn-4-en-3-ylidene]amino]oxy]-, potassium salt

Common Name

English

Code System Code Type Description

PUBCHEM

166177252

Created by admin on Sat Dec 16 19:20:57 GMT 2023 , Edited by admin on Sat Dec 16 19:20:57 GMT 2023

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FDA UNII

XA445KX2NQ

Created by admin on Sat Dec 16 19:20:57 GMT 2023 , Edited by admin on Sat Dec 16 19:20:57 GMT 2023

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