U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H58N2O3.2Br
Molecular Weight 690.633
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-DEACETYL-17-ACETYLDACURONIUM BROMIDE

SMILES

[Br-].[Br-].[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](O)[C@H](C[C@]34C)[N+]5(C)CCCCC5)[N+]6(C)CCCCC6

InChI

InChIKey=GVDVBILPKKKNQM-GMMLHHOXSA-L
InChI=1S/C33H58N2O3.2BrH/c1-23(36)38-31-28(34(4)16-8-6-9-17-34)21-27-25-13-12-24-20-30(37)29(35(5)18-10-7-11-19-35)22-33(24,3)26(25)14-15-32(27,31)2;;/h24-31,37H,6-22H2,1-5H3;2*1H/q+2;;/p-2/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-DEACETYL-17-ACETYLDACURONIUM BROMIDE
Common Name English
PANCURONIUM BROMIDE RELATED COMPOUND B [USP-RS]
Common Name English
3-DEACETYL-17-ACETYL DACURONIUM BROMIDE
Common Name English
3-HYDROXYPANCURONIUM DIBROMIDE
Common Name English
1,1'-(17.BETA.-(ACETYLOXY)-3.ALPHA.-HYDROXY-5.ALPHA.-ANDROSTANE-2.BETA.,16.BETA.-DIYL)BIS(1-METHYLPIPERIDINIUM) DIBROMIDE
Common Name English
PIPERIDINIUM, 1,1'-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-17-(ACETYLOXY)-3-HYDROXYANDROSTANE-2,16-DIYL)BIS(1-METHYL-, DIBROMIDE
Systematic Name English
PANCURONIUM BROMIDE IMPURITY B [EP IMPURITY]
Common Name English
PANCURONIUM BROMIDE RELATED COMPOUND B
USP-RS  
Common Name English
Code System Code Type Description
CAS
41261-71-6
Created by admin on Sat Dec 16 09:54:30 GMT 2023 , Edited by admin on Sat Dec 16 09:54:30 GMT 2023
PRIMARY
FDA UNII
L245TZ49VW
Created by admin on Sat Dec 16 09:54:30 GMT 2023 , Edited by admin on Sat Dec 16 09:54:30 GMT 2023
PRIMARY
PUBCHEM
218732
Created by admin on Sat Dec 16 09:54:30 GMT 2023 , Edited by admin on Sat Dec 16 09:54:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID70961538
Created by admin on Sat Dec 16 09:54:30 GMT 2023 , Edited by admin on Sat Dec 16 09:54:30 GMT 2023
PRIMARY
RS_ITEM_NUM
1494239
Created by admin on Sat Dec 16 09:54:30 GMT 2023 , Edited by admin on Sat Dec 16 09:54:30 GMT 2023
PRIMARY