Rocuronium Bromide Impurity 29

HCID 178719555CAS 1252016-49-1
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Basic information

Standard SMILES
C[C@]12C[C@@H](O)[C@H](N3CCOCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](N3CCCC3)C[C@@H]12
InChIKey
ZWYXOCXPQMAZJM-KJGDDJSISA-N
Molecular formula
C27H46N2O3
Average molar mass
446.7 g/mol

Names & identifiers

Preferred name
Rocuronium Bromide Impurity 29
IUPAC
(2R,3R,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-3-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol
English name
Androstane-2,17-diol, 3-(4-morpholinyl)-16-(1-pyrrolidinyl)-, (2α,3β,5α,16β,17β)-
Molecular formula
C27H46N2O3
Molecular weight
446.68

Names & synonyms

Rocuronium Bromide Impurity 291252016-49-1(2R,3R,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-3-morpholino-16-(pyrrolidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-2,17-diolRocuronium Impurity 38Rocuronium Bromide Impurity 60Rocuronium Bromide Impurity 44Rocuronium Bromide Impurity 60 (2R,3R isomer)Androstane-2,17-diol, 3-(4-morpholinyl)-16-(1-pyrrolidinyl)-, (2α,3β,5α,16β,17β)-

Database identifiers

CAS
1252016-49-1

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
56.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
32

Physicochemical properties

Boiling point
565.4 · 565.4±50.0 °C(Predicted)
Density
1.163 · 1.163±0.06 g/cm3(Predicted)
pka
14.69 · 14.69±0.70(Predicted)

Chemistry & industry

Suppliers21 total

济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

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