(2beta,9xi,14xi,16beta,17beta)-3,17-Diacetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)androstane dibromide

Basic Information

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CAS Number

52212-02-9

Molecular Formula

C35H62Br2N4O4

Molecular Weight

762.7 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

262-264° (dec)

Specific Rotation

D25 +8.1° (c = 1 in water)

SMILES

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CC(=O)OC1CC2CCC3C(C2(CC1N4CC[N+](CC4)(C)C)C)CCC5(C3CC(C5OC(=O)C)N6CC[N+](CC6)(C)C)C.[Br-].[Br-]

InChI

InChI=1S/C35H62N4O4.2BrH/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36;;/h26-33H,9-23H2,1-8H3;2*1H/q+2;;/p-2/t26?,27-,28?,29?,30+,31+,32?,33+,34+,35+;;/m1../s1

InChIKey

TXWBOBJCRVVBJF-IJSSFBRLSA-L

LogP

-2.56510

Complexity

1060

Safety Information

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Toxicity

LD50 in mice, rats (mg/kg): 29.7, 172.6 i.v.; 70.6, 449.6 i.p.; 60.5, 455.8 s.c. (Kárpáti, Biro)

Synonyms & References

English

Piperazinium, 4,4'-(3,17-dihydroxyandrostan-2,16-diyl)bis(1,1-dimethyl-, dibromide, diacetate
PIPECURONIUM BROMIDE [MART.]
PIPECURONIUM BROMIDE [INN]
Pipecuronium bromide hydrate
Pipecurium bromide
4,4'-(3alpha,17beta-Dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis(1,1-dimethylpiperazinium)dibromide, diacetate (ester)
D00764
Pipecuronium bromide [USAN:INN:BAN]
Tox21_113014
Q-101016
AKOS037653998
R6ZTY81RE1
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide
Pipecuronio bromuro [Spanish]
Piperazinium, 4,4'-[(2
NCGC00182708-01
4,4'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-Bis(acetyloxy)androstane-2,16-diyl)bis(1,1-dimethyl-piperazinium) dibromide
EN300-19767749
4,4'-((2beta,3alpha,5alpha,16beta,17beta)-3,17-Bis(acetoxy)androstane-2,16-diyl)bis(1,1-dimethylpiperazinium) dibromide
PIPECURIUM BROMIDE [MI]
A828983
Pipecuronium (bromide)
DTXCID403478
SCHEMBL42154
M03AC06
(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)androstane dibromide
NS00060880
A,17
A,3
A,5
Pipecuronio bromuro

MDL Number

MFCD00867696

Customs Code

29322980

FAQ

What regulatory guidelines apply to (2beta,9xi,14xi,16beta,17beta)-3,17-Diacetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)androstane dibromide (CAS: 52212-02-9)?

This compound is subject to regulations under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the EU, and FDA/EPA requirements. Specific hazard categories include flammability and reactivity, and may require classification as a hazardous substance. Manufacturers and importers must comply with REACH registration, which includes providing safety data sheets (SDS) and reporting any adverse effects.

Are there alternatives to (2beta,9xi,14xi,16beta,17beta)-3,17-Diacetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)androstane dibromide (CAS: 52212-02-9) in synthesis?

Alternatives may include related analogs such as 17α-acetoxyandrost-2-one, or isomers like 17β-acetoxyandrost-2-one. Common alternative reagents in synthesis include acetic anhydride or other acetylating agents. These can be more readily available and less complex, providing effective substitutes in various chemical processes.

What is the market or research trend for (2beta,9xi,14xi,16beta,17beta)-3,17-Diacetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)androstane dibromide (CAS: 52212-02-9)?

Market trends for this compound show increasing research interest in its potential applications in pharmaceuticals and cosmetics. Recent studies focus on its biological activity and synthesis methods. The compound's unique structure makes it a valuable reagent in developing new drugs and personal care products. Research trends indicate a growing demand for its use in innovative formulations.

How should waste containing (2beta,9xi,14xi,16beta,17beta)-3,17-Diacetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)androstane dibromide (CAS: 52212-02-9) be handled?

Waste containing this compound should be collected in appropriate containers and stored in a secure, well-ventilated area. For disposal, it is recommended to use professional waste disposal services that specialize in hazardous waste. Follow local environmental protection guidelines and ensure proper incineration or other disposal methods to prevent environmental contamination. Always consult the latest safety data sheets for detailed handling instructions.