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Clomiphene

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CID

60974
CAS

50-41-9
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
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
IUPAC Name

2-[4-(2-chloro-1, 2-diphenylethenyl)phenoxy]-N, N-diethylethanamine;2-hydroxypropane-1, 2, 3-tricarboxylic acid
Molecular Formula

C32H36ClNO8
Molecular Weight

598.1
Monoisotopic Mass

597.2129448
Polar Area

145
Complexity

708
Heavy Atom Count

42
Hydrogen Bond Donor Count

4
Hydrogen Bond Acceptor Count

9
Rotatable Bond Count

14
Physical Appearance

Brown liquid
Stability

Room Temperature

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