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

Basic Information

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CAS Number

50700-72-6

Molecular Formula

C34H57BrN2O4

Molecular Weight

637.7 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

227-234°C

Boiling Point

No data available

Density

Flash Point

No data available

Vapor Pressure

No data available

Specific Rotation

+31.0 to +34.0° (c=1, 0.05mol/L HCl)

SMILES

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CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-]

InChI

InChI=1S/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1

InChIKey

VEPSYABRBFXYIB-PWXDFCLTSA-M

LogP

2.86660

Complexity

958

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in mice: 0.061 mg/kg i.v. (Buckett)

Synonyms & References

English

V0120
Q27108523
EN300-122368
1-(3alpha,17beta-bis(acetoxy)-2beta-(1-piperidinyl)-5alpha-androstan-16beta-yl)-1-methylpiperidinium bromide
CCG-101147
CS-1881
Vecuronium for system suitability, European Pharmacopoeia (EP) Reference Standard
VECURONIUM BROMIDE [VANDF]
vecuronio bromuro
SR-01000763634
VECURONIUM BROMIDE [USP MONOGRAPH]
CAS-50700-72-6
Vecuronium bromide (USAN:USP:INN:BAN:JAN)
Norcuron
VECURONIUM BROMIDE (MART.)
1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-diacetoxy-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide
vecronium bromide
M03AC03
NC00397
HMS2052I21
Vecuronii bromidum [INN-Latin]
SMR000471625
PANCURONIUM BROMIDE IMPURITY D (EP IMPURITY)
VECURONIUM BROMIDE [EP MONOGRAPH]
AC-2000
Tox21_112471
Vecuronium for peak identification, European Pharmacopoeia (EP) Reference Standard
ORG-NC 45
NSC 759184
BCP06528
DTXSID1023736

MDL Number

MFCD00867762

Customs Code

2933399090

FAQ

What is (2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane bromide (CAS: 50700-72-6)?

This compound is a synthetic steroid derivative with a complex molecular structure, featuring acetoxy groups at positions 3 and 17, a piperidinium substituent at position 16, and a methyl group on the piperidinium ring. Its chemical formula is C24H39NO6Br, and it exhibits specific stereochemistry (2beta,3alpha,5alpha,16beta,17beta) and bromide functionality. It is primarily used in research settings for pharmaceutical development and biochemical studies due to its potential as a precursor in drug synthesis.

What are the main uses of (2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane bromide (CAS: 50700-72-6)?

The compound is mainly utilized in pharmaceutical research for developing drugs targeting hormonal disorders and as a synthetic intermediate in the production of steroid-based medications. It also serves in biochemical studies to investigate molecular interactions and may have applications in medicinal chemistry for creating novel therapeutics. Its unique structure makes it relevant for drug design and formulation studies.

Is (2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane bromide (CAS: 50700-72-6) safe?

Safety precautions must be followed when handling this compound due to its bromide and piperidinium groups, which may pose irritant or toxic risks. It is typically regulated under chemical safety standards and requires proper protective equipment, such as gloves and goggles, during use. Always consult safety data sheets (SDS) for detailed handling guidelines and ensure compliance with local hazardous material regulations.

How should (2beta,3alpha,5alpha,16beta,17beta)-3,17-Diacetoxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane bromide (CAS: 50700-72-6) be stored?

This compound should be stored in a cool, dry place (ideally 2-8°C), away from light, and in a sealed, airtight container to prevent moisture ingress. It is sensitive to humidity and light exposure, which may affect its stability. Storage conditions should maintain a controlled environment to ensure longevity, and it should be kept in a chemical-resistant container as per safety standards.