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Clomiphene-d5 Citrate

CAT: 0572-TRC-C587027-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C587027-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217200-17-3
Synonyms
2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-Hydroxy-1,2,3-propanetricarboxylate-d5; Clomid-d5; Clomphid-d5; Dyneric-d5; Fertivet-d5; Pergotime-d5; Serophene-d5; NSC 35770-d5
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c(C(=C(c2ccccc2)c3ccc(OCCN(CC)CC)cc3)Cl)c([2H])c1[2H].OC(=O)CC(O)(CC(=O)O)C(=O)O
Molecular Formula
C26 D5 H23 Cl N O . C6 H8 O7
Molecular Weight
603.11
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)/i6D,9D,10D,13D,14D;
Additionnal Information
IUPAC name: 2-[4-[2-chloro-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-vinyl]phenoxy]-N,N-diethyl-ethanamine;citric acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Clomiphene-d5 Citrate
CAS Number1217200-17-3
PubChem CID71314928
IUPAC Name2-[4-[(E)-2-chloro-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC32H36ClNO8
Molecular Weight603.1
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count42
Formal Charge0
Complexity708
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)OCCN(CC)CC)/Cl)[2H])[2H].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+;/i6D,9D,10D,13D,14D;
InChIKey
PYTMYKVIJXPNBD-FKBJCHEPSA-N
Chemical Structure
2D Structure
2D structure of Clomiphene-d5 Citrate
CAS: 1217200-17-3
CID: 71314928
Formula: C32H36ClNO8
MW: 603.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight603.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass602.2443285
Monoisotopic Mass602.2443285
Topological Polar Surface Area145 Ų
Heavy Atom Count42
Formal Charge0
Complexity708
Isotope Atom Count5
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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HY-118861AS1-01Clomiphene-d5 (citrate)
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sc-219815Rac Clomiphene-d5 Citrate
CS-O-06497Clomiphene Citrate-d5 (Mixture of Isomers)
T1193-01Clomiphene citrate
HY-B0463-01Clomiphene (citrate)
HY-B0463R-01Clomiphene (citrate) (Standard)
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