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Cyproterone acetate EP Impurity I

CAT: 1299-RM-C251709-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C251709-01Size:10 mg
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CAS Number
13698-49-2
Synonyms
6-chloro-3,20-dioxopregna-1,4,6-trien-17-yl acetate (delmadinone acetate)
Molecular Formula
C23H27ClO4
Molecular Weight
402.91
Target Alternative Name
Cyproterone
Product Name Synonym
6-chloro-3,20-dioxopregna-1,4,6-trien-17-yl acetate (delmadinone acetate)

Chemical Information

Delmadinone Acetate

Delmadinone acetate is a corticosteroid hormone.

CAS Number13698-49-2
PubChem CID10135765
IUPAC Name[(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC23H27ClO4
Molecular Weight402.9
XLogP3.8
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity868
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C=C[C@]34C)Cl)C)OC(=O)C
InChI
InChI=1S/C23H27ClO4/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/h5,8,11-12,16-18H,6-7,9-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1
InChIKey
CGBCCZZJVKUAMX-DFXBJWIESA-N
Chemical Structure
2D Structure
2D structure of Delmadinone Acetate
CAS: 13698-49-2
CID: 10135765
Formula: C23H27ClO4
MW: 402.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.9
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass402.1597870
Monoisotopic Mass402.1597870
Topological Polar Surface Area60.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity868
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RM-C251701-01Cyproterone Acetate EP Impurity A
RM-C251703-01Cyproterone Acetate EP Impurity C
RM-C251706-01Cyproterone acetate EP Impurity F
RM-C251702-01Cyproterone Acetate EP Impurity B
RM-C251710-01Cyproterone Acetate EP Impurity J
RM-C251708-01Cyproterone Acetate EP Impurity H
RM-C251705-01Cyproterone Acetate EP Impurity E
RM-C251704-01Cyproterone acetate EP Impurity D
RM-C251707-01Cyproterone Acetate EP Impurity G
RM-C251711-01Cyproterone acetate Impurity 11

Alternative Products

CatalogName
AR-C03865-01Cyproterone Acetate EP Impurity F (Cyproterone)
IC180619-01Cyproterone acetate EP Impurity A
AR-C05331-01Cyproterone Acetate Chlorohydrin Impurity
AR-C03874-01Cyproterone Acetate EP Impurity I
AR-C03880-01Cyproterone Acetate EP Impurity D
AR-C03876-01Cyproterone Acetate EP Impurity G
AR-C08817-01Cyproterone Acetate EP Impurity F-d3 (Cyproterone-d3)
AR-C03879-01Cyproterone Acetate EP Impurity J
AR-C03864-01Cyproterone Acetate EP Impurity E
AR-C03875-01Cyproterone Acetate EP Impurity B

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