Androstane-3,17-diol,2-(4-pyrrolidinyl)-16-(1-

HCID 76061800CAS 144209-33-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CC12CC(N3CCCC3)C(O)CC1CCC1C2CCC2(C)C(O)C(N3CCCC3)CC12
InChIKey
BYFWHQOQVWTTLG-QJRNWJQSSA-N
Molecular formula
C27H46N2O2
Average molar mass
430.7 g/mol

Names & identifiers

Preferred name
Androstane-3,17-diol,2-(4-pyrrolidinyl)-16-(1-
IUPAC
10,13-dimethyl-2,16-dipyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
English name
pyrrolidinyl)-, (2β,3α,5α,16β,17β)-
Molecular formula
C27H46N2O2
Molecular weight
430.67

Names & synonyms

144209-33-6RefChem:558048Androstane-3,17-diol,2-(4-pyrrolidinyl)-16-(1-806-469-510,13-Dimethyl-2,16-dipyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diolRocuronium bromide Impurity 15(2beta,3alpha,5alpha,16beta,17beta)-2,16-di-1-Pyrrolidinylandrostane-3,17-diol2beta,16beta-Bis(1-pyrrolidinyl)-5alpha-androstane-3alpha,17beta-diol(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2,16-di(pyrrolidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diolDB-050281Rocuronium Impurity 13Rocuronium Dipyrolidine Diol
Show more names
Rocuronium Bromide Impurity 8Rocuronium Bromide Impurity 50pyrrolidinyl)-, (2β,3α,5α,16β,17β)-Androstane-3,17-diol,2-(4- pyrrolidinyl)-16-(1-(2β,3α,5α,16β,17β)-2,16-di-1-Pyrrolidinylandrostane-3,17-diol(2b,3a,5a,16b,17b)-2,16-di-1-Pyrrolidinylandrostane-3,17-diolAndrostane-3,17-diol, 2,16-di-1-pyrrolidinyl-, (2β,3α,5α,16β,17β)-(2beta,3alpha,5alpha,16beta,17beta)-2,16-Di-pyrrolidin-1-yl-androstane-3,17-diol

Database identifiers

CAS
144209-33-6
PubChem CID
76061800
EC Number
806-469-5

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
46.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
31

Physicochemical properties

solubility
Chloroform (Slightly), Methanol (Very Slightly), Pyridine (Slightly)
form
Solid
color
White to Off-White
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H312-H332

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H312-H332
Precautionary statements
P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312

Chemistry & industry

Applications

Uses(2b,3a,5a,16b,17b)-2,16-di-1-Pyrrolidinylandrostane-3,17-diol is an impuritiy of Rocuronium bromide (R639500), an aminosteroid and a competitive neuromuscular blocker.

Suppliers20 total

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

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