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Home > Encyclopedia > Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate structure

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate 

structure
  • CAS No:

    63042-18-2

  • Formula:

    C29H34O4

  • Chemical Name:

    Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate

  • Synonyms:

    Estra-1,3,5(10)-triene-3,17-diol (17β)-,3-benzoate 17-butanoate

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate Basic Attributes

446.58

446.58

263-807-9

ZE4IGI4UMH

2916399090

Characteristics

52.6

8.20

1.2±0.1 g/cm3

128.5-129.0 °C

558.6±50.0 °C at 760 mmHg

276.2±28.5 °C

1.590

2-8°C

Safety Information

3

20/21/22-40

22-36

Xn

P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

estradiol-3-benzoate-17-n-butyrate

Computed Properties

Molecular Weight:446.6
XLogP3:5.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:446.24570956
Monoisotopic Mass:446.24570956
Topological Polar Surface Area:52.6
Heavy Atom Count:33
Complexity:712
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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