A1A4J

N-Methyltetrahydropalmatine

Created:	2024-09-03
Last modified:	2025-09-17

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Chemical Details
Formal Charge	1
Atom Count	55
Chiral Atom Count	2
Bond Count	58
Aromatic Bond Count	12

2D diagram of A1A4J

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Chemical Component Summary
Name	N-Methyltetrahydropalmatine
Synonyms	(7~{S},13~{a}~{S})-2,3,9,10-tetramethoxy-7-methyl-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[3,2-a]isoquinoline
Systematic Name (OpenEye OEToolkits)	(7~{S},13~{a}~{S})-2,3,9,10-tetramethoxy-7-methyl-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[3,2-a]isoquinolin-7-ium
Formula	C₂₂ H₂₈ N O₄
Molecular Weight	370.462
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	COc1c2C[N+]3(C)CCc4cc(OC)c(OC)cc4C3Cc2ccc1OC
SMILES	CACTVS	3.385	COc1ccc2C[CH]3c4cc(OC)c(OC)cc4CC[N+]3(C)Cc2c1OC
SMILES	OpenEye OEToolkits	2.0.7	C[N+]12CCc3cc(c(cc3C1Cc4ccc(c(c4C2)OC)OC)OC)OC
Canonical SMILES	CACTVS	3.385	COc1ccc2C[C@H]3c4cc(OC)c(OC)cc4CC[N@@+]3(C)Cc2c1OC
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[N@@+]12CCc3cc(c(cc3[C@@H]1Cc4ccc(c(c4C2)OC)OC)OC)OC
InChI	InChI	1.06	InChI=1S/C22H28NO4/c1-23-9-8-15-11-20(25-3)21(26-4)12-16(15)18(23)10-14-6-7-19(24-2)22(27-5)17(14)13-23/h6-7,11-12,18H,8-10,13H2,1-5H3/q+1/t18-,23-/m0/s1
InChIKey	InChI	1.06	BMQBFTBKHPYZFM-MBSDFSHPSA-N

Related Resource References

Resource Name	Reference
PubChem	1275593
ChEBI	CHEBI:194514

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