17-DEACETYL VECURONIUM BROMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H55N2O3.Br
Molecular Weight	595.695
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 17-DEACETYL VECURONIUM BROMIDE

Structure Search

SMILES

[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]([C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1N5CCCCC5)[N+]6(C)CCCCC6

InChI

InChIKey=XPLMFSDSQRHLDG-FMCCZJBLSA-M

InChI=1S/C32H55N2O3.BrH/c1-22(35)37-29-19-23-11-12-24-25(32(23,3)21-27(29)33-15-7-5-8-16-33)13-14-31(2)26(24)20-28(30(31)36)34(4)17-9-6-10-18-34;/h23-30,36H,5-21H2,1-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

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

Molecular Formula	C32H54N2O3
Molecular Weight	514.7828
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:50:30 GMT 2025` Edited by `admin` on `Mon Mar 31 22:50:30 GMT 2025`
Record UNII	8S61ZS49CN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

17-DEACETYL VECURONIUM BROMIDE

Common Name

English

VECURONIUM BROMIDE RELATED COMPOUND B

Preferred Name

English

VECURONIUM BROMIDE RELATED COMPOUND B [USP-RS]

Common Name

English

PIPERIDINIUM, 1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3-(ACETYLOXY)-17-HYDROXY-2-(1-PIPERIDINYL)ANDROSTAN-16-YL)-1-METHYL-, BROMIDE

Systematic Name

English

1-(3.ALPHA.-(ACETYLOXY)-17.BETA.-HYDROXY-2.BETA.-(PIPERIDIN-1-YL)-5.ALPHA.-ANDROSTAN-16.BETA.-YL)-1-METHYLPIPERIDINIUM BROMIDE

Systematic Name

English

17-DEACETYLVECURONIUM BROMIDE

Common Name

English

VECURONIUM BROMIDE RELATED COMPOUND B [USP IMPURITY]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80964797