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Molecule
Hydroxyprogesterone Caproate
CAS: 630-56-8 · C27H40O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 630-56-8
- Molecular Formula
- C27H40O4
- Molecular Mass
- 428.61 g/mol
Identifiers
CAS Registry Number
630-56-8
SMILES
CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI Key
DOMWKUIIPQCAJU-LJHIYBGHSA-N
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
Names and Synonyms
- Hydroxyprogesterone Caproate Common Name
- Pregn-4-ene-3,20-dione, 17-[(1-oxohexyl)oxy]- Synonym
- Pregn-4-ene-3,20-dione, 17-hydroxy-, hexanoate Synonym
- Progesterone, 17-hydroxy-, hexanoate Synonym
- Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione Synonym
- 17-[(1-Oxohexyl)oxy]pregn-4-ene-3,20-dione Synonym
- Delalutin Synonym
- 3,20-Dioxopregn-4-en-17α-yl caproate Synonym
- Hormofort Synonym
- HPC Synonym
- 17α-Hydroxypregn-4-ene-3,20-dione caproate Synonym
- 17α-Hydroxypregn-4-ene-3,20-dione hexanoate Synonym
- 17α-Hydroxyprogesterone n-caproate Synonym
- 17α-Hydroxyprogesterone caproate Synonym
- 17α-Hydroxyprogesterone hexanoate Synonym
- Proluton Depot Synonym
- Syngynon Synonym
- Hydroxyprogesterone caproate Synonym
- Hydroxyprogesterone hexanoate Synonym
- Progesterone caproate Synonym
- Depo-proluton Synonym
- 17α-Caproyloxypregn-4-ene-3,20-dione Synonym
- Primolut Depot Synonym
- Neolutin Synonym
- Pharlon Synonym
- Proge Synonym
- Hyproval PA Synonym
- Lewntogest Synonym
- Teralutil Synonym
- NSC 17592 Synonym
- Procyte Depo Synonym
- 17α-Caproyloxyprogesterone Synonym
- 17α-Caproyloxy-P4 Synonym
- 17-Caproxyprogesterone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 428.61 g/mol | CAS Common Chemistry |
| 428.6130000000003 g/mol | RDKit | |
| 428.613 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1(C(=O)C)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C)CCCCC | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=DOMWKUIIPQCAJU-LJHIYBGHSA-N | CAS Common Chemistry |
| Melting Point | 119-121 °C | CAS Common Chemistry |
| Name | Hydroxyprogesterone caproate | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.440000000000005 Ų | RDKit |
| 60.44 Ų | RDKit | |
| LogP | 5.969600000000007 | RDKit |
| 5.9696 | RDKit | |
| Molar Refractivity | 120.35600000000007 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8148 | RDKit |
| 0.81 | chempirical lib | |
| Exact Mass | 428.29265975999994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 428.61 g/mol. Edit any field — others recompute live.
