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

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H58N2O3
Molecular Weight 530.8252
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 2

SHOW SMILES / InChI
Structure of 3-HYDROXYPANCURONIUM

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)[N+]5(C)CCCCC5)[N+]6(C)CCCCC6

InChI

InChIKey=DNYGUSUWFYEAJL-ZZZJANDJSA-N
InChI=1S/C33H58N2O3/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/q+2/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-HYDROXYPANCURONIUM
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-
Systematic Name English
Code System Code Type Description
CAS
43021-44-9
Created by admin on Sat Dec 16 10:08:34 GMT 2023 , Edited by admin on Sat Dec 16 10:08:34 GMT 2023
PRIMARY
PUBCHEM
218733
Created by admin on Sat Dec 16 10:08:34 GMT 2023 , Edited by admin on Sat Dec 16 10:08:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID20962858
Created by admin on Sat Dec 16 10:08:34 GMT 2023 , Edited by admin on Sat Dec 16 10:08:34 GMT 2023
PRIMARY
FDA UNII
B503EDG52X
Created by admin on Sat Dec 16 10:08:34 GMT 2023 , Edited by admin on Sat Dec 16 10:08:34 GMT 2023
PRIMARY