Rocuronium Bromide Impurity 44

HCID 178722266CAS 2102929-98-4
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Basic information

Standard SMILES
C[C@]12C[C@@H]3O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](N3CCCC3)C[C@@H]12
InChIKey
OPYVYACKKDTREB-RJAIZYJPSA-N
Molecular formula
C23H37NO2
Average molar mass
359.5 g/mol

Names & identifiers

Preferred name
Rocuronium Bromide Impurity 44
IUPAC
(1S,2S,4S,6R,8S,11R,12S,14S,15R,16S)-2,16-dimethyl-14-pyrrolidin-1-yl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol
English name
Androstan-17-ol, 2,3-epoxy-16-(1-pyrrolidinyl)-, (2β,3β,5α,16β,17β)-
Molecular formula
C23H37NO2
Molecular weight
359.55

Names & synonyms

Rocuronium Bromide Impurity 44SCHEMBL3837728(1R,2S,3aS,3bR,5aS,6aR,7aS,8aS,8bS,10aS)-8a,10a-dimethyl-2-(pyrrolidin-1-yl)hexadecahydro-1H-cyclopenta[7,8]phenanthro[2,3-b]oxiren-1-ol2102929-98-4Rocuronium Bromide Impurity 70Rocuronium Bromide Impurity 63(2B,3B,5a,16B,17B)-2,3-Epoxy-16-(1-pyrrolidinyl)-Androstan-17-olAndrostan-17-ol, 2,3-epoxy-16-(1-pyrrolidinyl)-, (2β,3β,5α,16β,17β)-

Database identifiers

CAS
2102929-98-4

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
36 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
26

Physicochemical properties

Boiling point
469.6 · 469.6±45.0 °C(Predicted)
Density
1.143 · 1.143±0.06 g/cm3(Predicted)
pka
14.73 · 14.73±0.70(Predicted)

Chemistry & industry

Suppliers9 total

南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [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]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]

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