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Chlormadinone acetate (Standard)

CAT: 0804-HY-B1095R-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1095R-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Chlormadinone acetate (Standard) is the analytical standard of Chlormadinone acetate. This product is intended for research and analytical applications. 0
CAS Number
302-22-7
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Progesterone Receptor; Reference Standards
Type
Reference Standards
Related Pathways
Others; Vitamin D Related/Nuclear Receptor
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/chlormadinone-acetate-standard.html
Smiles
CC([C@@]1(OC(C)=O)CC[C@@]2([H])[C@]3([H])C=C(Cl)C4=CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O)=O
Molecular Formula
C23H29ClO4
Molecular Weight
404.93
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference Standards
Clinical Information
Launched

Chemical Information

Chlormadinone Acetate

Chlormadinone acetate is a corticosteroid hormone.

CAS Number302-22-7
PubChem CID9324
IUPAC Name[(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC23H29ClO4
Molecular Weight404.9
XLogP3.6
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity826
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C
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
InChIKey
QMBJSIBWORFWQT-DFXBJWIESA-N
Chemical Structure
2D Structure
2D structure of Chlormadinone Acetate
CAS: 302-22-7
CID: 9324
Formula: C23H29ClO4
MW: 404.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.9
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass404.1754371
Monoisotopic Mass404.1754371
Topological Polar Surface Area60.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity826
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

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CatalogName
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