ChemicalBook--->CAS DataBase List--->119302-20-4

119302-20-4

119302-20-4 Structure

119302-20-4 Structure
IdentificationMore
[Name]

(2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol
[CAS]

119302-20-4
[Synonyms]

Androstane-3,17-diol, 2-(4-morpholinyl)-16-(1-pyrrolidinyl)
(2b,3a,5a,16b,17b)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol(9CI)
2-(4-MORPHOLINYL)-16-(1-PYRROLIDINYL)-5-ANDROSTANE-3,17-DIOL
3,17-DIHYDROXY-2-(4-MORPHOLINYL)-16-(1-PYRROLINYL)-ANDROSTANE
3,17-dihydroxy-2-(4-morpholinyl)-16-(1-pyrroliny)-androstane
2,3-Epoxy-1H-cyclopenta[a]phenanthrene,anddrostan-17-ol deriv
(2β,3ɑ,5ɑ,16ɑ,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)-androstane-3,17-diol
(2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol
2,3-Epoxy-1H-cyclopenta[a]phenanthrene,anddrostan-17-ol
[EINECS(EC#)]

601-595-5
[Molecular Formula]

C27H46N2O3
[MDL Number]

MFCD09833551
[Molecular Weight]

446.67
[MOL File]

119302-20-4.mol
Chemical PropertiesBack Directory
[Melting point ]

>210°C (dec.)
[Boiling point ]

565.4±50.0 °C(Predicted)
[density ]

1.163
[vapor pressure ]

0Pa at 25℃
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

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

Solid
[pka]

14.69±0.70(Predicted)
[color ]

White to Off-White
[Optical Rotation]

83.87°(C=0.01g/mL, CHCL3, 20°C, 589nm)
[Major Application]

pharmaceutical small molecule
[InChIKey]

YKHDYPFPUAWBIW-HEABSFAMNA-N
[SMILES]

[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)[C@@H](N5CCOCC5)C[C@]34C)[C@]1([H])C[C@H](N1CCCC1)[C@@H]2O)[H] |&1:0,4,5,9,12,14,22,24,27,33,r|
[LogP]

4.6 at 22℃ and pH12
[CAS DataBase Reference]

119302-20-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H332-H312
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
[REACH Registrations]

Active
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

(2β,3α,5α,16β,17β)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol is used in the synthesis of the neuromuscular blocking agent rocuronium bromide.
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