21-Amino-9-fluoro-11β,17a-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione, hydrochloride supplier

Name
(11BETA,16BETA)-PREGNA-1,4-DIENE-3,20-DIONE,21-AMINO-9-FLUORO-11,17-DIHYDROXY-16-METHYL-,HYDROCHLORIDE
EINECS
CAS No. 744254-11-3
Density
Solubility
Melting Point
Formula C₂₂H₃₁ClFNO₄
Boiling Point 578 °C at 760 mmHg
Molecular Weight 427.94
Flash Point 303.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 21-amino-9-fluoro-11β,17 -dihydroxy-16β-methylpregna-1,4-diene-3,20-dione, hydrochloride;(9ξ,11β,16β)-21-Amino-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione hydrochloride;(8S,10S,11S,13S,14S,16S,17R)-17-(Aminoacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one hydrochloride;(11β,16β)-pregna-1,4-diene-3,20-dione,21-amino-9-fluoro-11,17-dihydroxy-16-methyl-,hydrochloride;
PSA 100.62000
LogP 3.36440

21-Amino-9-fluoro-11β,17a-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione, hydrochloride Specification

The 21-Amino-9-fluoro-11β,17a-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione, hydrochloride has the CAS registry number 744254-11-3, is also known as (11β,16β)-Pregna-1,4-diene-3,20-dione,21-amino-9-fluoro-11,17-dihydroxy-16-methyl-,hydrochloride. This chemical's molecular formula is C₂₂H₃₁ClFNO₄ and molecular weight is 427.94. What's more, its systematic name is (8S,10S,11S,13S,14S,16S,17R)-17-(2-aminoacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one hydrochloride.

Physical properties of 21-Amino-9-fluoro-11β,17a-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione, hydrochloride are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.39; (4)#H bond acceptors: 5; (5)#H bond donors: 4; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 100.62 Å²; (8)Flash Point: 303.4 °C; (9)Enthalpy of Vaporization: 99.34 kJ/mol; (10)Boiling Point: 578 °C at 760 mmHg; (11)Vapour Pressure: 9.1E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
(2)InChI: InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
(3)InChIKey: GYGKJNGSQQORRG-UHFFFAOYSA-N

Product Name

(11BETA,16BETA)-PREGNA-1,4-DIENE-3,20-DIONE,21-AMINO-9-FLUORO-11,17-DIHYDROXY-16-METHYL-,HYDROCHLORIDE

21-Amino-9-fluoro-11β,17a-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione, hydrochloride Specification

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