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Clomiphene citrate

CAT: 0862-GP4170-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0862-GP4170-5gSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50-41-9
EC Number
200-035-3
MDL Number
MFCD00058322
HS Code
29221985
Purity
98.00%
Molecular Formula
C26H28ClNO.C6H8O7
Molecular Weight
598.08
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

Clostilbegit

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

CAS Number50-41-9
PubChem CID60974
IUPAC Name2-[4-(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)
InChIKey
PYTMYKVIJXPNBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clostilbegit
CAS: 50-41-9
CID: 60974
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 Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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