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Details

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

SHOW SMILES / InChI
Structure of 17-DEACETYL VECURONIUM BROMIDE

SMILES

[Br-].[H][C@@]12C[C@@H]([C@H](O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](OC(C)=O)[C@H](C[C@]34C)N5CCCCC5)[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 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:47:01 GMT 2023
Edited
by admin
on Sat Dec 16 09:47:01 GMT 2023
Record UNII
8S61ZS49CN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-DEACETYL VECURONIUM BROMIDE
Common 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   USP-RS  
Common Name English
VECURONIUM BROMIDE RELATED COMPOUND B [USP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80964797
Created by admin on Sat Dec 16 09:47:01 GMT 2023 , Edited by admin on Sat Dec 16 09:47:01 GMT 2023
PRIMARY
PUBCHEM
14029405
Created by admin on Sat Dec 16 09:47:01 GMT 2023 , Edited by admin on Sat Dec 16 09:47:01 GMT 2023
PRIMARY
RS_ITEM_NUM
1711177
Created by admin on Sat Dec 16 09:47:01 GMT 2023 , Edited by admin on Sat Dec 16 09:47:01 GMT 2023
PRIMARY
FDA UNII
8S61ZS49CN
Created by admin on Sat Dec 16 09:47:01 GMT 2023 , Edited by admin on Sat Dec 16 09:47:01 GMT 2023
PRIMARY
CAS
50587-95-6
Created by admin on Sat Dec 16 09:47:01 GMT 2023 , Edited by admin on Sat Dec 16 09:47:01 GMT 2023
PRIMARY
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