rac Clomiphene-[d5] Citrate

General Information
Catalog: BLP-006846
CAS: 1217200-17-3
Molecular Formula: C32H31D5ClNO8
Molecular Weight: 603.11
Related CAS: 50-41-9 (unlabelled)
Description rac Clomiphene-[d5] Citrate is the labelled analogue of Clomiphene. Clomiphene is a medication used to treat infertility in women who do not ovulate.
Synonyms Pergotime-d5; 2-[4-(2-Chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine-d5; 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-{4-[(E)-2-chloro-1-phenyl-2-(2H5)phenylethenyl]phenoxy}-N,N-diethylethan-1-amine
IUPAC Name 2-[4-[(E)-2-chloro-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Canonical 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+;/i6D,9D,10D,13D,14D;
InChI Key PYTMYKVIJXPNBD-FKBJCHEPSA-N
Purity 95%
Solubility Soluble in DMSO
Appearance White to Off-white Solid
Storage Store at -20°C

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