CAS No.797-64-8,(-)-NORGESTREL 98 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	797-64-8
Name:	(-)-NORGESTREL 98
Article Data:	12

Formula:	C₂₁H₂₈O₂
Molecular Weight:	312.452
Synonyms:	Dextronorgestrel;(8S,9R,10S,13R,14R,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;L-Norgestrel;(+)-Norgestrel;(8alpha,9beta,10alpha,13alpha,14beta)-17alpha-ethynyl-17beta-hydroxy-18a-homoestr-4-en-3-one;Norgestrel (+)-form;
Density:	1.0697 (rough estimate)
Melting Point:	239-241?°C(lit.)
Boiling Point:	392.36°C (rough estimate)
Risk Codes:	R20/21/22; R40
Safety:	Moderately toxic by intraperitoneal route. Human male reproductive effects by ingestion: disorders of spermatogenesis and the androgenic endocrine system, impotence and other effects. Human female reproductive effects by several routes: changes in the uterus, cervix, vagina, menstrual cycle and fertility. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA:	37.30000
LogP:	3.88260

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Chemistry

Molecular Structure of L-Norgestrel (CAS NO. 797-64-8):

IUPAC Name: (8S,9R,10S,13R,14R,17S)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Formula: C₂₁H₂₈O₂
Molecular Weight: 312.445820 g/mol
XLogP3: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 2
Canonical SMILES: CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
Isomeric SMILES: CC[C@@]12CC[C@@H]3[C@@H]([C@H]1CC[C@@]2(C#C)O)CCC4=CC(=O)CC[C@@H]34
InChI: InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m1/s1
InChIKey: WWYNJERNGUHSAO-XHCJJCCMSA-N
Index of Refraction: 1.571
Molar Refractivity: 90.18 cm³
Molar Volume: 274.3 cm³
Surface Tension: 48.3 dyne/cm
Density: 1.13 g/cm³
Flash Point: 195.4 °C
Enthalpy of Vaporization: 82.99 kJ/mol
Boiling Point: 459.1 °C at 760 mmHg
Vapour Pressure: 2.32E-10 mmHg at 25 °C
Melting Point: 239-241 °C(lit.)
Water Solubility: 35.84 mg/L at 25 °C

Toxicity Data With Reference

ipr-mus LDLo:2 g/kg

EXCEDS Experimental and Clinical Endocrinology. 81 (1983),175.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Safety Information of L-Norgestrel (CAS NO. 797-64-8):
Hazard Codes: Xn Harmful
Risk Statements: 20/21/22-40
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed
R40:Limited evidence of a carcinogenic effect
Safety Statements: 22-36
S22:Do not breathe dust
S36:Wear suitable protective clothing
WGK Germany: 3
RTECS: JF8259000
Moderately toxic by intraperitoneal route. Human male reproductive effects by ingestion: disorders of spermatogenesis and the androgenic endocrine system, impotence and other effects. Human female reproductive effects by several routes: changes in the uterus, cervix, vagina, menstrual cycle and fertility. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

L-Norgestrel with cas registry number of 797-64-8 is also known as Dextronorgestrel ; Norgestrel (+)-form ; (+)-Norgestrel ; 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (8-alpha,9-beta,10-alpha,13-alpha,14-beta)- ; 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-,(8alpha,9beta,10alpha,13alpha,14beta)- .