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Pregna-4,16-diene-3,20-dione

Pregna-4,16-diene-3,20-dione structure

CAS No:
1096-38-4
Formula:
C21H28O2
Chemical Name:
Pregna-4,16-diene-3,20-dione
Synonyms:
Pregna-4,16-diene-3,20-dione;16-Dehydroprogesterone;NSC 11037;16,17-Didehydroprogesterone;Δ16-Progesterone;Δ4,16-Pregnadiene-3,20-dione;3,20-Dioxopregna-4,16-diene;NSC 9785
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

16-Dehydroprogesterone is a steroidal progestin.

Solid

16,17-didehydroprogesterone is a 20-oxo steroid, a 3-oxo-Delta(4) steroid and an enone. It derives from a progesterone.

Pregna-4,16-diene-3,20-dione Basic Attributes

Molecular Weight：

312.453

Exact Mass：

312.45

EC Number：

214-142-8

UNII：

JU0YQ9DZ2O

NSC Number：

11037|9785

Characteristics

PSA：

34.1

XLogP3：

4.64360

Appearance：

Solid

Density：

1.10±0.1 g/cm3(Predicted)

Melting Point：

186 °C

Boiling Point：

461.0±45.0 °C(Predicted)

Flash Point：

171.5ºC

Refractive Index：

1.557

Storage Conditions：

2-8ºC

Vapor Pressure：

1.11E-08mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

R20/21/22;R40

safety instructions：

22-36

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (95%): 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 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

16-dehydroprogesterone

Pregna-4,16-diene-3,20-dione Use and Manufacturing

Use Classification：

Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

Computed Properties

Molecular Weight:312.4
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:312.208930132
Monoisotopic Mass:312.208930132
Topological Polar Surface Area:34.1
Heavy Atom Count:23
Complexity:640
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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16-Dehydroprogesterone

CAS No.: 1096-38-4

Content: 99.00%

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Guide of Pregna-4,16-diene-3,20-dione

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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