ChemicalBook--->CAS DataBase List--->13529-31-2

13529-31-2

13529-31-2 Structure

13529-31-2 Structure
IdentificationBack Directory
[Name]

(2b,3a,16b,17b)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane
[CAS]

13529-31-2
[Synonyms]

Vecuronium EP Impurity A
vecuronium intermediate 7
Vecuronium Bromide Impurity A
Vecuronium Bromide Impurity 10
Pancuronium bromide EP Impurity E
2b,11b-Dipiperidino-3a,17b-diacetonyl-5a-androstane
2β,11β-dipiperidino-3α,17β-diacetony- 5α-androstane
2SS,16SS-DIPIPERIDINO-5A-ANDROSTANE-3A,17SS-DIOLDIACETATE
(2β,3α,16β,17β)-2,3-bis-piperidino-3,17-diacetoxy-5-androstane
(2B,3A,16B,17B)-2,16-BISPIPERIDINO-3,17-DIACETOXY-5-ANDROSTANE
2B,16B-Di(piperidin-1-yl)-5a-androstane-3a,17B-diyl diacetate,
(2b,3a,16b,17b)-2,16-Bispiperidino-3,17-diacetoxy-5-androsta...
(2β,3α,16β,17β)-2,16-Bispiperidino-3,17-diacetoxy-5-a ndrostane
"(2β,3α,16b,17b)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane"
5α-Androstane-3α,17β-diol,2beta,16β-dipiperidino-,diacetate(ester)(8Cl)
Androstane-3,17-diol,2,16-di-1-piperidinyl-,diacetate(ester),(2,3,5,16,17)-(9CI)
Androstane-3,17-diol,2,16-di-1-piperidinyl-, 3,17-diacetate, (2b,3a,5a,16b,17b)-
acetic acid [17-acetyloxy-10,13-dimethyl-2,16-bis(1-piperidinyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
[EINECS(EC#)]

691-755-0
[Molecular Formula]

C33H54N2O4
[MOL File]

13529-31-2.mol
[Molecular Weight]

542.81
Chemical PropertiesBack Directory
[Melting point ]

176-180 °C
[Boiling point ]

591.3±50.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

8.86±0.20(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical (small molecule)
[InChIKey]

CSXHRHGXNQSNQW-XBVCNPEZNA-N
[SMILES]

C[C@]12CC[C@]3([H])[C@]4(C[C@H](N5CCCCC5)[C@@H](OC(=O)C)C[C@]4([H])CC[C@@]3([H])[C@]1([H])C[C@H](N1CCCCC1)[C@@H]2OC(=O)C)C |&1:1,4,6,8,15,21,25,27,30,37,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[WGK Germany ]

WGK 3
[HS Code ]

2933399090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

N-Desmethyl Vecuronium is an impurity in the synthesis of Vecuronium Bromide (V102500), an aminosteroid, competitive neuromuscular blocker agent.
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