[6-Acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]acetate; 2-hydroxy-2-oxoacetate

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Catalog Number
ACM63905691
Product Name
[6-Acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]acetate; 2-hydroxy-2-oxoacetate
CAS
63905-69-1
Category
Heterocyclic Organic Compound
Synonyms
CID45109, LS-85600, 6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(4-CHLOROPHENETHYL)-2-METHYL-, DIACET, 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-methyl-, diacetate (ester), hydrogen oxalate, 63905-69-1
IUPAC Name
[7-acetyloxy-1-[2-(4-chlorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] acetate; 2-hydroxy-2-oxoacetate
Molecular Weight
491.918 g/mol
Molecular Formula
C24H26ClNO8
Canonical SMILES
CC(=O)OC1=C(C=C2C([NH+](CCC2=C1)C)CCC3=CC=C(C=C3)Cl)OC(=O)C.C(=O)(C(=O)[O-])O
InChI Key
MNCIGKWNJKSUMU-UHFFFAOYSA-N
Boiling Point
510.1ºC at 760 mmHg
Flash Point
262.3ºC
Exact Mass
491.13500
H-Bond Acceptor
8
H-Bond Donor
2
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