2β-(4-Morpholinyl)-16β-(1-pyrrolidinyl)-5α-androstane-3α,17β-diol
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2β-(4-Morpholinyl)-16β-(1-pyrrolidinyl)-5α-androstane-3α,17β-diol
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CAS No:
119302-20-4
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Formula:
C27H46N2O3
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Chemical Name:
2β-(4-Morpholinyl)-16β-(1-pyrrolidinyl)-5α-androstane-3α,17β-diol
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Synonyms:
Androstane-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-,(2β,3α,5α,16β,17β)-;(2β,3α,5α,16β,17β)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol;2β-(4-Morpholinyl)-16β-(1-pyrrolidinyl)-5α-androstane-3α,17β-diol;(2β,3α,5α,16β,17β)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstan-3,17-diol;2-(4-Morpholinyl)-16-(pyrrolidin-1-yl)androstane-3,17-diol
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CAS No:
2β-(4-Morpholinyl)-16β-(1-pyrrolidinyl)-5α-androstane-3α,17β-diol Basic Attributes
446.67
446.67
1312995-182-4
UX6KSG6C3A
Characteristics
56.2
3.01170
Whitish or yellowish crystalline powder
1.163
161-169ºC
565.4ºC at 760 mmHg
295.7ºC
1.574
3.88E-15mmHg at 25°C
Safety Information
|Danger|H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P273, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P333+P313, P363, P391, P405, and P501|Aggregated GHS information provided by 2 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2β-(4-Morpholinyl)-16β-(1-pyrrolidinyl)-5α-androstane-3α,17β-diol Use and Manufacturing
This compound is used in the synthesis of the neuromuscular blocking agent rocuronium bromide.
Computed Properties
Molecular Weight:446.7
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:446.35084333
Monoisotopic Mass:446.35084333
Topological Polar Surface Area:56.2
Heavy Atom Count:32
Complexity:692
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2β-(4-Morpholinyl)-16β-(1-pyrrolidinyl)-5α-androstane-3α,17β-diol
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