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Enclomiphene Citrate

CAT: 0957-E0361-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0957-E0361-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7599-79-3
Target
Estrogen/progestogen Receptor
Applications
Endocrinology & Hormones
Smiles
CCN (CC) CCOC1=CC=C (C=C1) \C (=C (\Cl) C2=CC=CC=C2) C3=CC=CC=C3.OC (=O) CC (O) (CC (O) =O) C (O) =O
Molecular Formula
C26H28ClNO.C6H8O7
Additionnal Information
Enclomiphene citrate is the trans isomer of clomiphene citrate and acts as a non-steroidal estrogen receptor antagonist.
Storage Conditions
3 years -20°C powder

Chemical Information

Enclomiphene Citrate

Clomiphene Citrate can cause cancer and developmental toxicity according to state or federal government labeling requirements.

CAS Number7599-79-3
PubChem CID6420009
IUPAC Name2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC32H36ClNO8
Molecular Weight598.1
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count42
Formal Charge0
Complexity708
SMILES
CCN(CC)CCOC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/Cl)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C26H28ClNO.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+;
InChIKey
PYTMYKVIJXPNBD-BTKVJIOYSA-N
Chemical Structure
2D Structure
2D structure of Enclomiphene Citrate
CAS: 7599-79-3
CID: 6420009
Formula: C32H36ClNO8
MW: 598.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight598.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass597.2129448
Monoisotopic Mass597.2129448
Topological Polar Surface Area145 Ų
Heavy Atom Count42
Formal Charge0
Complexity708
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

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