CAS Registry Number®
89778-27-8
CAS Name
Toremifene citrate
Molecular Formula
C26H28ClNO.C6H8O7
Compound Properties
-
Melting Point (1)
160-162 °C
Source(s)
- (1) Drugs – Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
InChI=1S/C6H8O7.C2H4.24CH4.ClH.H3N.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H2;24*1H4;1H;1H3;1H2
InChIKey
InChIKey=CDXRUJPWTSHMNY-UHFFFAOYSA-N
SMILES
C(CC(O)=O)(CC(O)=O)(C(O)=O)O.C(=C(CCCl)C1=CC=CC=C1)(C2=CC=C(OCCN(C)C)C=C2)C3=CC=CC=C3
Canonical SMILES
O=C(O)CC(O)(C(=O)O)CC(=O)O.ClCCC(C=1C=CC=CC1)=C(C=2C=CC=CC2)C3=CC=C(OCCN(C)C)C=C3
Other Names for this Substance
- Ethanamine, 2-[4-[(1Z)-4-chloro-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
- Ethanamine, 2-[4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
- Ethanamine, 2-[4-[(1Z)-4-chloro-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
- FC 1157a
- Toremifene citrate
- NK 622
- Fareston
- NSC 613680
- Acapodene
- Z-Toremifene
- GTx 006
