CAS Registry Number®
182349-12-8
CAS Name
Rupatadine fumarate
Molecular Formula
C26H26ClN3.C4H4O4
Compound Properties
-
Melting Point (1)
194-201 °C
Source(s)
- (1) Agarwal, Rajendra; Synthetic Communications, (2008), 38(1), 122-127, CAplus
Other Names and Identifiers
InChI
InChI=1S/C26H26ClN3.C4H4O4/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;5-3(6)1-2-4(7)8/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
InChIKey=JYBLCDXVHQWMSU-WLHGVMLRSA-N
SMILES
ClC=1C=C2C(C(C=3C(CC2)=CC=CN3)=C4CCN(CC=5C=C(C)C=NC5)CC4)=CC1.C(=C/C(O)=O)\C(O)=O
Canonical SMILES
O=C(O)C=CC(=O)O.ClC=1C=CC2=C(C1)CCC=3C=CC=NC3C2=C4CCN(CC=5C=NC=C(C5)C)CC4
Other Names for this Substance
- 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-[1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene]-, (2E)-2-butenedioate (1:1)
- 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-[1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene]-, (E)-2-butenedioate (1:1)
- Rupatadine fumarate
