CAS No.13698-49-2,delmadinone acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13698-49-2
Name:	delmadinone acetate
Article Data:	10

Formula:	C₂₃H₂₇ClO₄
Molecular Weight:	402.918
Synonyms:	Pregna-1,4,6-triene-3,20-dione,6-chloro-17-hydroxy-, acetate (6CI,7CI,8CI);17-Acetoxy-6-chloropregna-1,4,6-triene-3,20-dione;17a-Acetoxy-6-chloropregna-1,4,6-triene-3,20-dione;6-Chloro-17-hydroxypregna-1,4,6-triene-3,20-dione acetate;Delminal;Estrex;RS 1301;Tardastrex;Tarden;Zenadrex;D1-Chlormadinone acetate;Delnadinone acetate;
EINECS:	237-219-8
Density:	1.252 g/cm³
Melting Point:	168-170°
Boiling Point:	519.5 °C at 760 mmHg
Flash Point:	177.7 °C
Solubility:	6.07mg/L(37 oC)
PSA:	60.44000
LogP:	4.52770

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Specification

The Pregna-1,4,6-triene-3,20-dione,17-(acetyloxy)-6-chloro- is an organic compound with the formula C₂₃H₂₇ClO₄. The IUPAC name of this chemical is (17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl) acetate. With the CAS registry number 13698-49-2, it is also named as 1,6-Bisdehydro-6-chloro-17a-acetoxyprogesterone. The product's classification codes are Anti-androgen; Anti-estrogen; Progestin.

Physical properties about Pregna-1,4,6-triene-3,20-dione,17-(acetyloxy)-6-chloro- are: (1)ACD/LogP: 3.16; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 60.44 Å²; (5)Index of Refraction: 1.576; (6)Molar Refractivity: 106.53 cm³; (7)Molar Volume: 321.842 cm³; (8)Polarizability: 42.232×10^-24cm³; (9)Surface Tension: 47.814 dyne/cm; (10)Density: 1.252 g/cm³; (11)Flash Point: 177.723 °C; (12)Enthalpy of Vaporization: 79.231 kJ/mol; (13)Boiling Point: 519.534 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1\C=C/[C@]4(C(=C/1)C(\Cl)=C/[C@@H]2[C@@H]4CC[C@@]3([C@@](OC(=O)C)(C(=O)C)CC[C@@H]23)C)C
(2)InChI: InChI=1/C23H27ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11-12,16-18H,6-7,9-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1
(3)InChIKey: CGBCCZZJVKUAMX-DFXBJWIEBR
(4)Std. InChI: InChI=1S/C23H27ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11-12,16-18H,6-7,9-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1
(5)Std. InChIKey: CGBCCZZJVKUAMX-DFXBJWIESA-N