Compound Summary
Compound Information
PANCURONIUM BROMIDE
Compound Name: | PANCURONIUM BROMIDE |
Compound CID: | 27350 |
Synonyms: | PANCURONIUM BROMIDE 15500-66-0 Pancuronium dibromide Pavulon Mioblock More... |
Iupac Name: | [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide |
InChI: | InChI=1S/C35H60N2O4.2BrH/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/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1 |
InChIKey: | NPIJXCQZLFKBMV-YTGGZNJNSA-L |
Canonical Smiles: | CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-] |
Isomeric Smiles: | CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-] |
Molecular Weight: | 732.7 |
Molecular Formula: | C35H60Br2N2O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
PANCURONIUM BROMIDE
Molecular Weight: | 732.7 |
Molecular Formula: | C35H60Br2N2O4 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 43 |
Complexity: | 1000 |
Synonyms
PANCURONIUM BROMIDE
| PANCURONIUM BROMIDE | PANCURONIUM BROMIDE |
|---|---|
PANCURONIUM BROMIDE |
15500-66-0 |
Pancuronium dibromide |
Pavulon |
Mioblock |
ORG NA 97 |
Pancuronium (dibromide) |
Pancuronii bromidum |
Bromuro de pancuronio |
Bromure de pancuronium |
UNII-U9LY9Y75X2 |
CHEBI:7908 |
ORG-NA 97 |
3alpha,17beta-Diacetoxy-2beta,16beta-dipiperidino-5alpha-androstane dimethobromide |
NA 97 |
2beta,16beta-Dipiperidino-5alpha-androstane-3alpha,17beta-diol diacetate dimethobromide |
U9LY9Y75X2 |
Bromure de pancuronium INN-French |
Bromuro de pancuronio INN-Spanish |
15500-66-0 (bromide) |
C35H60Br2N2O4 |
MFCD00079223 |
1,1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-diacetoxy-10,13-dimethylhexadecahydro-1H-cyclopentaaphenanthrene-2,16-diyl)bis(1-methylpiperidin-1-ium) bromide |
(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-2,16-bis(1-methylpiperidinium-1-yl)androstane dibromide |
3alpha,17beta-diacetoxy-2beta,16beta-bis(1-methylpiperidinium-1-yl)-5alpha-androstane dibromide |
HSDB 3244 |
Pancuronii bromidum INN-Latin |
EINECS 239-532-5 |
NSC 293162 |
1,1-(2beta,3alpha,5alpha,16beta,17beta-3,17-Bisacetyloxyandrostane-2,16-diyl)bis(1-methylpiperidinium) dibromide" |
1,1-(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(Acetyloxy)androstane-2,16-diylbis(1-methylpiperidinium) dibromide |
Pavulon (TN) |
NCGC00163232-01 |
DSSTox_CID_3415 |
Pancuronium bromide USAN:USP:INN:BAN:JAN |
CAS-15500-66-0 |
1,1-(3,17-Bis(acetyloxy)androstane-2,16-diyl)bis(1-methylpiperidinium) dibromide |
2beta,16beta-Dipiperidino-5alpha-androstane-3alpha,17beta-dioldiacetatedimethobromide |
3-alpha,17-beta-Diacetoxy-2-beta,16-beta-dipiperidino-5-alpha-androstane dimethobromide |
5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, diacetate |
DSSTox_RID_77018 |
DSSTox_GSID_23415 |
SCHEMBL41185 |
1,1-(3alpha,17beta-Bis(acetyloxy)-5alpha-androstane-2beta,16beta-diyl)bis(1-methylpiperidinium) dibromide" |
1,1-(3alpha,17beta-Dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis(1-methylpiperidinium) dibromide diacetate" |
Piperidinium, 1,1-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl-, dibromide" |
Piperidinium, 1,1-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, dibromide, diacetate" |
Piperidinium, 1,1-(3alpha,17beta-dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis(1-methyl-, dibromide, diacetate |
CHEMBL1200757 |
DTXSID9023415 |
HMS1571O09 |
HMS2098O09 |
HMS3262B16 |
HMS3715O09 |
HMS3884P21 |
HY-B0429 |
Tox21_112033 |
Tox21_500887 |
BDBM50248016 |
s2497 |
AKOS037515715 |
Pancuronium bromide (JP17/USP/INN) |
CCG-221034 |
CCG-222191 |
LP00887 |
NCGC00261572-01 |
BS-15969 |
H857 |
Piperidinium, 1,1-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl)-, dibromide |
AB0013311 |
EU-0100887 |
D00492 |
P 1918 |
A809594 |
SR-01000000127 |
SR-01000076059 |
Q-101015 |
SR-01000000127-3 |
SR-01000076059-1 |
Q27107612 |
Pancuronium bromide, European Pharmacopoeia (EP) Reference Standard |
Pancuronium bromide, United States Pharmacopeia (USP) Reference Standard |
Pancuronium bromide for system suitability, European Pharmacopoeia (EP) Reference Standard |
(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-Acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentaaphenanthren-3-yl acetate;bromide |
(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentaaphenanthren-3-yl acetate;dibromide |
17-acetoxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentaaphenanthren-3-yl acetate dibromide |
1,1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-Diacetoxy-10,13-dimethylhexadecahydro-1H-cyclopentaaphenanthrene-2,16-diyl)bis(1-methylpiperidin-1-ium) bromi" |
Piperidinium, 1,1-(3alpha,17beta-dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis(1-methyl-, dibromide, diacetate (8CI)" |
Experimental Data
PANCURONIUM BROMIDE
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 8 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
PANCURONIUM BROMIDE
Statistics Data
PANCURONIUM BROMIDE
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 8 | 1 | 1 |
Statistics Data Visualization
PANCURONIUM BROMIDE
