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Nomegestrol

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Name

Nomegestrol

EINECS 200-258-5
CAS No. 58691-88-6 Density 1.17g/cm3
PSA 54.37000 LogP 3.61440
Solubility N/A Melting Point 204-205 °C
Formula C21H28O3 Boiling Point 502.6 °C at 760 mmHg
Molecular Weight 328.452 Flash Point 271.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 58691-88-6 (Nomegestrol) Hazard Symbols N/A
Synonyms

Monaco;Nomegestrol;TX 071;Thermex;

 

Nomegestrol 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

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