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Enclomiphene hydrochloride

CAT: 0931-T62572-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62572-01Size:25 mg
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CAS Number
14158-65-7
Target
Others, Estrogen Receptor/ERR
Related Pathways
Others, Endocrinology/Hormones
Bioactivity
Enclomiphene ((E) -Clomiphene) hydrochloride is an orally active, potent non-steroidal estrogen receptor antagonist with anti-estrogenic effects. It is utilized to study ovarian dysfunction, testosterone deficiency, male hypogonadism, and type 2 diabetes mellitus.
Smiles
Cl.CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccccc1)\c1ccccc1
Molecular Formula
C26H29Cl2NO
Molecular Weight
442.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

trans-Clomiphene Hydrochloride
CAS Number14158-65-7
PubChem CID71314885
IUPAC Name2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;hydrochloride
Molecular FormulaC26H29Cl2NO
Molecular Weight442.4
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity481
SMILES
CCN(CC)CCOC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/Cl)/C3=CC=CC=C3.Cl
InChI
InChI=1S/C26H28ClNO.ClH/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;/h5-18H,3-4,19-20H2,1-2H3;1H/b26-25+;
InChIKey
KKBZGZWPJGOGJF-BTKVJIOYSA-N
Chemical Structure
2D Structure
2D structure of trans-Clomiphene Hydrochloride
CAS: 14158-65-7
CID: 71314885
Formula: C26H29Cl2NO
MW: 442.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight442.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass441.1626199
Monoisotopic Mass441.1626199
Topological Polar Surface Area12.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes