CAS No.3836-23-5,17alpha-Ethynyl-19-nortestosterone 17-heptanoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3836-23-5
Name:	17alpha-Ethynyl-19-nortestosterone 17-heptanoate
Article Data:	3

Formula:	C₂₇H₃₈O₃
Molecular Weight:	410.597
Synonyms:	19-Nor-17a-pregn-4-en-20-yn-3-one, 17-hydroxy-, heptanoate(6CI,7CI,8CI);Heptanoic acid, ester with 17-hydroxy-19-nor-17a-pregn-4-en-20-yn-3-one (8CI);17a-Ethynyl-19-nortestosterone 17-heptanoate;NSC 22846;Norethindrone enanthate;Norethisterone heptanoate;Norigest;Noristerat;SH 8.0393;ZK 5410;
EINECS:	223-326-7
Density:	1.08 g/cm³
Melting Point:	69.5°C
Boiling Point:	515.3 °C at 760 mmHg
Flash Point:	219 °C
PSA:	43.37000
LogP:	6.01380

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Specification

The Norethisterone enanthate is an organic compound with the formula C₂₇H₃₈O₃. The IUPAC name of this chemical is [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate. With the CAS registry number 3836-23-5, it is also named as Noristerat. The product's classification codes are Contraceptive Agents; Contraceptive agents, female; Contraceptives, Oral; Contraceptives, oral, synthetic; Drug / Therapeutic Agent; Hormone; Human Data; Reproductive Control Agents; Reproductive Effect; Tumor data.

Physical properties about Norethisterone enanthate are: (1)ACD/LogP: 6.65; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 3; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 43.37 Å²; (6)Index of Refraction: 1.54; (7)Molar Refractivity: 118.28 cm³; (8)Molar Volume: 376.8 cm³; (9)Polarizability: 46.89×10^-24cm³; (10)Surface Tension: 44.2 dyne/cm; (11)Density: 1.08 g/cm³; (12)Flash Point: 219 °C; (13)Enthalpy of Vaporization: 78.72 kJ/mol; (14)Boiling Point: 515.3 °C at 760 mmHg; (15)Vapour Pressure: 9.93E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C3/C(C2CCC1(C(CCC1(C#C)OC(=O)CCCCCC)C2CC3)C)CC4
(2)InChI: InChI=1/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3
(3)InChIKey: APTGJECXMIKIET-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3
(5)Std. InChIKey: APTGJECXMIKIET-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
women	TDLo	intramuscular	4mg/kg (4mg/kg)	BLOOD: "CHANGES IN SERUM COMPOSITION (E.G., TP, BILIRUBIN, CHOLESTEROL)"	Shengzhi Yu Biyun. Reproduction and Contraception. Vol. 12(4), Pg. 13, 1992.
women	TDLo	intravenous	4mg/kg (4mg/kg)	SENSE ORGANS AND SPECIAL SENSES: INCREASED INTRAOCULAR PRESSURE: EYE	Advances in Planned Parenthood. Vol. 8, Pg. 103, 1972.