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Hydroxyprogesterone Caproate
CAS: 630-56-8 | C27H40O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
630-56-8
Molecular Formula:
C27H40O4
Molecular Mass:
428.61 g/mol
Names and Synonyms:
Hydroxyprogesterone Caproate
Pregn-4-ene-3,20-dione, 17-[(1-oxohexyl)oxy]-
Pregn-4-ene-3,20-dione, 17-hydroxy-, hexanoate
Progesterone, 17-hydroxy-, hexanoate
Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione
17-[(1-Oxohexyl)oxy]pregn-4-ene-3,20-dione
Delalutin
3,20-Dioxopregn-4-en-17α-yl caproate
Hormofort
HPC
17α-Hydroxypregn-4-ene-3,20-dione caproate
17α-Hydroxypregn-4-ene-3,20-dione hexanoate
17α-Hydroxyprogesterone n-caproate
17α-Hydroxyprogesterone caproate
17α-Hydroxyprogesterone hexanoate
Proluton Depot
Syngynon
Hydroxyprogesterone caproate
Hydroxyprogesterone hexanoate
Progesterone caproate
Depo-proluton
17α-Caproyloxypregn-4-ene-3,20-dione
Primolut Depot
Neolutin
Pharlon
Proge
Hyproval PA
Lewntogest
Teralutil
NSC 17592
Procyte Depo
17α-Caproyloxyprogesterone
17α-Caproyloxy-P4
17-Caproxyprogesterone
Identifiers:
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:
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
Key Properties
Melting Point
119-121 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 428.61 g/mol | CAS Common Chemistry |
| 428.6130000000003 g/mol | RDKit | |
| 428.29265975999994 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 |
| LogP | 5.969600000000007 | RDKit |
| Molar Refractivity | 120.35600000000007 | RDKit |
