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21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride

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Name

21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride

EINECS N/A
CAS No. 110428-56-3 Density N/A
PSA 97.46000 LogP 3.45850
Solubility N/A Melting Point N/A
Formula C21H30ClNO4 Boiling Point 576 °C at 760 mmHg
Molecular Weight 395.92 Flash Point 302.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 110428-56-3 (21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride) Hazard Symbols N/A
Synonyms

21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride

 

21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride Specification

The 21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride, with the CAS registry number 110428-56-3, is also known as Pregn-4-ene-3,11,20-trione, 21-amino-17-hydroxy-, hydrochloride (1:1). What's more, this chemical's molecular formula is C21H30ClNO4 and molecular weight is 395.92.

Physical properties about 21-Amino-17-hydroxypregn-4-ene-3,11,20-trione hydrochloride are: (1)ACD/LogP: 1.146; (2)# of Rule of 5 Violations: 0; (3) ACD/LogD (pH 7.4): 0.97; (4)#H bond acceptors: 5; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 97.46 Å2; (8)Flash Point: 302.1 °C; (9)Enthalpy of Vaporization: 99.06 kJ/mol; (10)Boiling Point: 576 °C at 760 mmHg; (11)Vapour Pressure: 1.15E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CN)O)C.Cl
(2) InChI: InChI=1S/C21H29NO4.ClH/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;/h9,14-15,18,26H,3-8,10-11,22H2,1-2H3;1H/t14-,15-,18+,19-,20-,21-;/m0./s1
(3) InChIKey: QXNKZQSPNGXLGY-HNGAPHHWSA-N

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