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Home > Encyclopedia > Androsta-2,16-dien-17-ol, 17-acetate, (5α)-

Androsta-2,16-dien-17-ol, 17-acetate, (5α)-

Androsta-2,16-dien-17-ol, 17-acetate, (5α)- structure

Androsta-2,16-dien-17-ol, 17-acetate, (5α)- 

structure
  • CAS No:

    50588-42-6

  • Formula:

    C21H30O2

  • Chemical Name:

    Androsta-2,16-dien-17-ol, 17-acetate, (5α)-

  • Synonyms:

    Androsta-2,16-dien-17-ol,17-acetate,(5α)-;Androsta-2,16-dien-17-ol,acetate,(5α)-;17-Acetoxy-5α-androsta-2,16-diene;17-Acetoxy-5a-androsta-2,16-diene

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Yellow Solid

Androsta-2,16-dien-17-ol, 17-acetate, (5α)- Basic Attributes

314.46

314.46

1592732-453-0

DTXSID50677362

Characteristics

26.30000

6.92

1.1±0.1 g/cm3

413.2±45.0 °C at 760 mmHg

174.4±26.1 °C

1.547

Safety Information

P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Androsta-2,16-dien-17-ol, 17-acetate, (5α)- Use and Manufacturing

A reactant used in the preparation of Rocuronium (R639500) and its derivatives.

Computed Properties

Molecular Weight:314.5
XLogP3:5.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:314.224580195
Monoisotopic Mass:314.224580195
Topological Polar Surface Area:26.3
Heavy Atom Count:23
Complexity:574
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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