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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H60N2O4.2Br.H2O
Molecular Weight 750.685
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PANCURONIUM BROMIDE MONOHYDRATE

SMILES

O.[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](OC(C)=O)[C@H](C[C@]34C)[N+]5(C)CCCCC5)[N+]6(C)CCCCC6

InChI

InChIKey=KSNRANIFOPUVTD-CVPFSWIZSA-L
InChI=1S/C35H60N2O4.2BrH.H2O/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;;/h26-33H,7-23H2,1-6H3;2*1H;1H2/q+2;;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;;/m0.../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PANCURONIUM BROMIDE MONOHYDRATE
Common Name English
1,1'-(3.ALPHA.,17.BETA.-DIHYDROXY-5.ALPHA.-ANDROSTAN-2.BETA.,16.BETA.-YLENE)BIS(1-METHYLPIPERIDINIUM)DIBROMIDE DIACETATE MONOHYDRATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90176723
Created by admin on Fri Dec 15 15:04:55 UTC 2023 , Edited by admin on Fri Dec 15 15:04:55 UTC 2023
PRIMARY
CAS
22189-36-2
Created by admin on Fri Dec 15 15:04:55 UTC 2023 , Edited by admin on Fri Dec 15 15:04:55 UTC 2023
PRIMARY
PUBCHEM
71587045
Created by admin on Fri Dec 15 15:04:55 UTC 2023 , Edited by admin on Fri Dec 15 15:04:55 UTC 2023
PRIMARY
FDA UNII
CR38E1PQ7F
Created by admin on Fri Dec 15 15:04:55 UTC 2023 , Edited by admin on Fri Dec 15 15:04:55 UTC 2023
PRIMARY