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Tamoxifen Citrate

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CID

2733525
CAS

54965-24-1
InChI

InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13, 5(11)12)2-4(9)10/h5-18H, 4, 19-20H2, 1-3H3;13H, 1-2H2, (H, 7, 8)(H, 9, 10)(H, 11, 12)/b26-25-;
InChIKey

FQZYTYWMLGAPFJ-OQKDUQJOSA-N
Isomeric SMILES

CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Canonical SMILES

CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
IUPAC Name

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

C32H37NO8
Molecular Weight

563.6
Monoisotopic Mass

563.25191714
Polar Area

145
Complexity

690
Heavy Atom Count

41
Hydrogen Bond Donor Count

4
Hydrogen Bond Acceptor Count

9
Rotatable Bond Count

13
Physical Appearance

White Opaque Liquid
Stability

Room Temperature

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