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

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H53N2O3
Molecular Weight 513.7748
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of PIPERIDINYL ROCURONIUM

SMILES

[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)N5CCCC5)[N+]6(CC=C)CCCC6

InChI

InChIKey=LBWBPSXAJLSPRH-OOJCLDBCSA-N
InChI=1S/C32H53N2O3/c1-5-16-34(17-8-9-18-34)28-20-26-24-11-10-23-19-29(36)27(33-14-6-7-15-33)21-32(23,4)25(24)12-13-31(26,3)30(28)37-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PIPERIDINYL ROCURONIUM
Common Name English
PYRROLIDINIUM, 1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-17-(ACETYLOXY)-3-HYDROXY-2-(1-PYRROLIDINYL)ANDROSTAN-16-YL)-1-(2-PROPEN-1-YL)-
Systematic Name English
ROCURONIUM BROMIDE IMPURITY E [EP IMPURITY]
Common Name English
1-(17.BETA.-ACETOXY-3.ALPHA.-HYDROXY-2.BETA.-(PYRROLIDIN-1-YL)-5.ALPHA.-ANDROSTAN-16.BETA.-YL)-1-(PROP-2-ENYL)PYRROLIDINIUM
Systematic Name English
1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-17-(ACETYLOXY)-3-HYDROXY-2-(1-PYRROLIDINYL)ANDROSTAN-16-YL)-1-(2-PROPEN-1-YL)PYRROLIDINIUM
Systematic Name English
1-(17.BETA.-(ACETYLOXY)-3.ALPHA.-HYDROXY-2.BETA.-(PYRROLIDIN-1-YL)-5.ALPHA.-ANDROSTAN-16.BETA.-YL)-1-(PROP-2-ENYL)PYRROLIDINIUM
Systematic Name English
ROCURONIUM RELATED COMPOUND E [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
126455959
Created by admin on Sat Dec 16 14:50:12 GMT 2023 , Edited by admin on Sat Dec 16 14:50:12 GMT 2023
PRIMARY
FDA UNII
C1QY4G1ZL6
Created by admin on Sat Dec 16 14:50:12 GMT 2023 , Edited by admin on Sat Dec 16 14:50:12 GMT 2023
PRIMARY
CAS
942983-83-7
Created by admin on Sat Dec 16 14:50:12 GMT 2023 , Edited by admin on Sat Dec 16 14:50:12 GMT 2023
PRIMARY