(2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane dibromide

Basic Information

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CAS Number

15500-66-0

Molecular Formula

C35H60Br2N2O4

Molecular Weight

732.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

215°

SMILES

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CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-]

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

LogP

0.03610

Complexity

1000

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Sensitiveness

对湿度和光线敏感

Toxicity

LD50 in mice (mg/kg): 0.047 i.v.; 0.152 i.p.; 0.167 s.c.; 21.9 orally; in rats, rabbits: 0.153, 0.016 i.v. (Buckett, 1968)

Synonyms & References

English

NSC293162
[(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;bromide
ORG-NA 97
pancuronium (cation)
Bromide, Pancuronium
1,1'-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(Acetyloxy)androstane-2,16-diyl]bis(1-methylpiperidinium) dibromide
Pancuronium bromide, European Pharmacopoeia (EP) Reference Standard
3alpha,17beta-diacetoxy-2beta,16beta-bis(1-methylpiperidinium-1-yl)-5alpha-androstane dibromide
NA 97
1,1'-(3,17-Bis(acetyloxy)androstane-2,16-diyl)bis(1-methylpiperidinium) dibromide
PANCURONIUM BROMIDE (USP MONOGRAPH)
MFCD00079223
PANCURONIUM BROMIDE [EP MONOGRAPH]
Pancuronii bromidum
1,1'-(3alpha,17beta-Dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis(1-methylpiperidinium) dibromide diacetate
Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, dibromide, diacetate
Pancuronium bromide (USAN:USP:INN:BAN:JAN)
CAS-15500-66-0
1,1'-(3alpha,17beta-Bis(acetyloxy)-5alpha-androstane-2beta,16beta-diyl)bis(1-methylpiperidinium) dibromide
PANCURONIUM BROMIDE [INN]
Bromuro de pancuronio (INN-Spanish)
PANCURONIUM BROMIDE [ORANGE BOOK]
PANCURONIUM BROMIDE [MI]
PANCURONIUM BROMIDE (MART.)
1,1'-(3.ALPHA.,17.BETA.-DIHYDROXY-5.ALPHA.-ANDROSTAN-2.BETA.,16.BETA.-YLENE)BIS(1-METHYLPIPERIDINIUM)DIBROMIDE DIACETATE
Pancuronium (dibromide)
PANCURONIUM BROMIDE [JAN]
[(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
HY-B0429
CHEMBL1200757
PANCURONIUM BROMIDE (USP-RS)

MDL Number

MFCD00079223

FAQ

What is (2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane dibromide (CAS: 15500-66-0)?

(2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane dibromide is a steroidal compound with a complex molecular structure. It is known for its diacetoxy and piperidinium functionalities. This compound is not commonly used in everyday applications but is of interest in specialized pharmaceutical and research fields.

What are the main uses of (2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane dibromide (CAS: 15500-66-0)?

(2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane dibromide is primarily used in pharmaceutical research and development, particularly in the study of hormone-related therapies and potential drug candidates. Its use in the industry extends to specialized chemical synthesis and formulation processes.

Is (2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane dibromide (CAS: 15500-66-0) safe?

The safety of (2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane dibromide depends on the context of use. It is generally safe when handled under proper laboratory conditions, but precautions must be taken to avoid skin contact and inhalation. Protective gear such as gloves and safety goggles should be used during handling. It is important to follow all safety guidelines provided by the manufacturer.

How should (2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane dibromide (CAS: 15500-66-0) be stored?

(2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane dibromide should be stored in a cool, dry place away from direct sunlight and heat sources. It is best kept in a tightly sealed container to prevent degradation and contamination. The storage area should be well-ventilated and accessible only to authorized personnel. Follow the storage instructions provided by the manufacturer at all times.