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Toremifene Citrate

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SKU: EX1125-60MG Category:
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CID

3005572
CAS

89778-27-8
InChI

InChI=1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13, 5(11)12)2-4(9)10/h3-16H, 17-20H2, 1-2H3;13H, 1-2H2, (H, 7, 8)(H, 9, 10)(H, 11, 12)/b26-25-;
InChIKey

IWEQQRMGNVVKQW-OQKDUQJOSA-N
Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Canonical SMILES

CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
IUPAC Name

2-[4-[(Z)-4-chloro-1, 2-diphenylbut-1-enyl]phenoxy]-N, N-dimethylethanamine;2-hydroxypropane-1, 2, 3-tricarboxylic acid
Molecular Formula

C32H36ClNO8
Molecular Weight

598.1
Monoisotopic Mass

597.2129448
Polar Area

145
Complexity

710
Heavy Atom Count

42
Hydrogen Bond Donor Count

4
Hydrogen Bond Acceptor Count

9
Rotatable Bond Count

14
Physical Appearance

White Opaque Liquid
Stability

Room Temperature

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