Molecule structure of Hydroxyprogesterone caproate (CAS NO.630-56-8):

IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate 
Molecular Weight: 428.6041 g/mol
Molecular Formula: C₂₇H₄₀O₄ 
Density: 1.1 g/cm³ 
Melting Point: 119 °C
Boiling Point: 536.4 °C at 760 mmHg 
Flash Point: 227.6 °C
Index of Refraction: 1.533
Molar Refractivity: 120.62 cm³
Molar Volume: 388.6 cm³
Surface Tension: 43.1 dyne/cm
Enthalpy of Vaporization: 81.31 kJ/mol
Vapour Pressure: 1.4E-11 mmHg at 25 °C
XLogP3: 5.7
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Tautomer Count: 10
Exact Mass: 428.29266
MonoIsotopic Mass: 428.29266
Topological Polar Surface Area: 60.4
Heavy Atom Count: 31
Canonical SMILES: CCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)C
Isomeric SMILES: CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]4C)C)C(=O)C
InChI: InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1
InChIKey: DOMWKUIIPQCAJU-LJHIYBGHSA-N
EINECS: 211-138-8
Product Categories: Biochemistry; Hydroxyketosteroids; Steroids

 Hydroxyprogesterone caproate (CAS NO.630-56-8) is used as progesterone medicine.

 Hydroxyprogesterone caproate can be prepared by the following sequence:

IARC Cancer Review: Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 21 , 1979,p. 399.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

Hazard Codes: T
Risk Statements: 61 
R61:May cause harm to the unborn child.
Safety Statements: 53-22-36/37/39-45 
S53:Avoid exposure - obtain special instructions before use. 
S22:Do not breathe dust. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
RTECS: TU5085000
Human reproductive effects by an unknown route: behavioral effects on newborn. Experimental teratogenic and reproductive effects. Questionable carcinogen. A steroid. Used to treat menstrual disorders, threatened abortion, and sterility. When heated to decomposition it emits acrid smoke and fumes.

 Hydroxyprogesterone caproate (CAS NO.630-56-8) is also named as 17-((1-Oxohexyl)oxy)pregn-4-ene-3,20-dione ; 17-Hydroxypregn-4-ene-3,20-dione hexanoate ; 17-alpha-Hexanoyloxypregn-4-ene-3,20-dione ; 17-alpha-Hydroxy progesterone n-caproate ; 17-alpha-Hydroxyprogesterone caproate ; 17-alpha-Hydroxyprogesterone hexanoate ; 17alpha-Caproyloxypregn-4-ene-3,20-dione ; 17alpha-Hydroxyprogesterone caproate ; Caproate d'hydroxyprogesterone ; Caproate d'hydroxyprogesterone [INN-French] ; Caproato de hidroxiprogesterona ; Caproato de hidroxiprogesterona [INN-Spanish] ; Corlutin L.A. ; Delalutin ; Depo-Proluton ; Duraluton ; Estralutin ; Gesterol LA 250 ; Hylutin ; Hyproval ; Hyproval-PA ; Hyroxon ; Idrogestene ; Neolutin ; Neolutin forte ; Proge ; Progesterone caproate ; Progesterone retard pharlon ; Progesterone, 17-hydroxy-, hexanoate ; Proluton depot ; Relutin . Hydroxyprogesterone caproate (CAS NO.630-56-8) is an ester derivative of 17α-hydroxyprogesterone formed from caproic acid (hexanoic acid).