Product Name: Coptisine chloride
Molecular Structure:
Molecular Formula: C19H14ClNO4
Molecular Weight: 355.7718
CAS NO: 6020-18-4
H bond acceptors: 5
Polar Surface Area: 40.8 Å2
Synonyms of Coptisine chloride (CAS NO.6020-18-4): Coptisine hydrochloride ; NSC 119754 ; Berbinium, 7,8,13,13a-tetradehydro-2,3:9,10-bis(methylenedioxy)-, chloride (8CI) ; Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-, chloride (9CI)
SMILES: [Cl-].O1c3c(OC1)c2c[n+]6c(cc2cc3)c5cc4OCOc4cc5CC6
InChI: InChI=1/C19H14NO4.ClH/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14;/h1-2,5-8H,3-4,9-10H2;1H/q+1;/p-1
InChIKey: LUXPUVKJHVUJAV-REWHXWOFAW
Std. InChI: InChI=1S/C19H14NO4.ClH/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14;/h1-2,5-8H,3-4,9-10H2;1H/q+1;/p-1
Std. InChIKey: LUXPUVKJHVUJAV-UHFFFAOYSA-M
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