CAS No.58691-88-6,Nomegestrol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58691-88-6
Name:	Nomegestrol

Formula:	C₂₁H₂₈O₃
Molecular Weight:	328.452
Synonyms:	Monaco;Nomegestrol;TX 071;Thermex;
EINECS:	200-258-5
Density:	1.17g/cm³
Melting Point:	204-205 °C
Boiling Point:	502.6 °C at 760 mmHg
Flash Point:	271.8 °C
PSA:	54.37000
LogP:	3.61440

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Specification

The Nomegestrol ,its cas register number is 58691-88-6.It also can be called as 17-Hydroxy-6-methyl-19-nor-4,6-pregnadiene-3,20-dione and the IUPAC name about this chemicals is (8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,13-dimethyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one .

Following are the chemical properties about Nomegestrol :(1)#H bond acceptors: 3 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 43.37 Å² ; (5)Index of Refraction: 1.573 ; (6)Molar Refractivity: 92.17 cm³ ; (7)Molar Volume: 279.4 cm³ ; (8)Surface Tension: 47.2 dyne/c; (9)Enthalpy of Vaporization: 88.85 kJ/mol ; (10)Vapour Pressure: 3.32E-12 mmHg at 25°C .

The Nomegestrol is a progestogen crystal and can be used as 19-nor-progesterone derivative. In the clinical application, it is apply to inadequate luteal function disorders, such as menstrual disorders, dysmenorrhea, endometriosis, premenstrual syndrome, breast pain, menopausal syndrome, etc..

This chemicals can be described computed from structure:
(1)Canonical SMILES: CC1=CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4C1=CC(=O)CC4
(2)Isomeric SMILES: CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@H]4C1=CC(=O)CC4
(3)InChI: InChI=1S/C21H28O3/c1-12-10-18-16(15-5-4-14(23)11-17(12)15)6-8-20(3)19(18)7-9-21(20,24)13(2)22/h10-11,15-16,18-19,24H,4-9H2,1-3H3/t15-,16-,18-,19+,20+,21+/m1/s1
(4)InChIKey: KZUIYQJTUIACIG-YBZCJVABSA-N