ACDB Search

Compound Summary

PANCURONIUM BROMIDE

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	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	33.000000000000000	umol/L			8.000000000000000				NS	N2		24134630	Inactive

Experimental Data Visualization

PANCURONIUM BROMIDE

Statistics Data

PANCURONIUM BROMIDE

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	8.000000000000000		1	1

Statistics Data Visualization

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

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

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"

PANCURONIUM BROMIDE

15500-66-0

Pancuronium dibromide

Pavulon

Mioblock

More...