4-[(3aS,4R,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide (CHEBI:126904)

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CHEBI:126904 - 4-[(3aS,4R,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide

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ChEBI ID	CHEBI:126904
ChEBI Name	4-[(3aS,4R,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide
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Downloads	Molfile

Formula	C29H31N3O4
Net Charge	0
Average Mass	485.584
Monoisotopic Mass	485.23146
SMILES	CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2Cc2ccc4c(c2)OCO4)[C@H](CO)N3)cc1
InChI	InChI=1S/C29H31N3O4/c1-31(2)29(34)20-6-4-19(5-7-20)21-8-9-24-23(14-21)28-22(25(16-33)30-24)11-12-32(28)15-18-3-10-26-27(13-18)36-17-35-26/h3-10,13-14,22,25,28,30,33H,11-12,15-17H2,1-2H3/t22-,25-,28-/m0/s1
InChIKey	XZUSOFKMWDBHCV-ULNCZQIZSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-[(3aS,4R,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide (CHEBI:126904) is a quinolines (CHEBI:26513)

Manual Xrefs	Databases
LSM-38467	LINCS