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Chlormadinone (Standard)

CAT: 0804-HY-135473RSize: 1 EachDry Ice: NoHazardous: No
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Description
Chlormadinone (Standard) is the analytical standard of Chlormadinone. This product is intended for research and analytical applications. Chlormadinone is an antiandrogen agent. Chlormadinone can be used for the study of benign prostatic hyperplasia (BPH).
CAS Number
1961-77-9
UNSPSC
12352211
Target
Androgen 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-standard.html
Smiles
CC([C@@]1(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
C21H27ClO3
Molecular Weight
362.89
References & Citations
[1]Okada H, et al. Tamsulosin and chlormadinone for the treatment of benign prostatic hyperplasia. The Kobe University YM617 Study Group. Scand J Urol Nephrol. 1996 Oct;30 (5) :379-85.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Chlormadinone

See also: Chlormadinone Acetate (active moiety of).

CAS Number1961-77-9
PubChem CID5284533
IUPAC Name(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H27ClO3
Molecular Weight362.9
XLogP3
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity723
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)O
InChI
InChI=1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1
InChIKey
VUHJZBBCZGVNDZ-TTYLFXKOSA-N
Chemical Structure
2D Structure
2D structure of Chlormadinone
CAS: 1961-77-9
CID: 5284533
Formula: C21H27ClO3
MW: 362.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.9
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass362.1648724
Monoisotopic Mass362.1648724
Topological Polar Surface Area54.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity723
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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Alternative Products

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TRC-C343490-100MGChlormadinone
FC19935-01Chlormadinone acetate
006042Chlormadinone-d6
AR-C02432-01Chlormadinone-d7

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