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Chlormadinone Acetate
CAS: 302-22-7 | C23H29ClO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
302-22-7
Molecular Formula:
C23H29ClO4
Molecular Weight:
404.9340000000003 g/mol
Names and Synonyms:
Chlormadinone Acetate
Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-
6-Chloro-pregna-4,6-dien-17α-ol-3,20-dione acetate
6-Dehydro-6-chloro-17α-acetoxyprogesterone
Lormin
Lutinyl
Skedule TM
Matrol
6-Chloro-17-hydroxypregna-4,6-diene-3,20-dione acetate
Ay 13390-6
6-Chloro-17α-hydroxy-4,6-pregnadiene-3,20-dione 17-acetate
Gestafortin
6-Chloro-17α-acetoxy-4,6-pregnadiene-3,20-dione
6-Chloro-6,7-dehydro-17-acetoxyprogesterone
6-Chloro-Δ6-[17α]acetoxyprogesterone
Chlormadinon acetate
17-Acetoxy-6-chloropregna-4,6-diene-3,20-dione
17α-Acetoxy-6-chloro-6,7-dehydroprogesterone
Luteran
Lutoral (Syntex)
Normenon
Menstridyl
Cero
Verton
17α-Acetoxy-6-chloro-4,6-pregnadiene-3,20-dione
Synchrosyn P
Bovisynchron
Traslan
Clordion
Retex
Synchrosyn
Prostal
NSC 92338
Natrol
Lutoral
Fertiletten
Chronosyn
Cyclonorm
Bellissima
Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-, acetate
17-(Acetyloxy)-6-chloropregna-4,6-diene-3,20-dione
RS 1280
17-Acetoxy-6-chloro-6-dehydroprogesterone
CAP
Chlormadinone acetate
6-Chloro-17-acetoxy-4,6-pregnadiene-3,20-dione
6-Chloro-Δ6-17-acetoxyprogesterone
6-Chloro-Δ6-dehydro-17-acetoxyprogesterone
6-Chloro-6-dehydro-17-acetoxyprogesterone
6-Chloro-6-dehydro-17α-acetoxyprogesterone
6-Chloro-17α-hydroxypregna-4,6-diene-3,20-dione acetate
6-Chloro-17α-hydroxy-Δ6-progesterone acetate
6-Chloro-Δ4,6-pregnadien-17α-ol-3,20-dione 17-acetate
Identifiers:
SMILES:
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI:
InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 404.93 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OC1(C(=O)C)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC21C)C None | Legacy Database |
| cas-inchi | InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=QMBJSIBWORFWQT-DFXBJWIESA-N None | Legacy Database |
| cas-melting-point | 212-214 °C None | Legacy Database |
| cas-name | Chlormadinone acetate None | Legacy Database |
| LogP | 4.751700000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 404.9340000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 404.175437088 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 28 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 60.440000000000005 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 106.59000000000006 | RDKit |
