Echitamine chloride

Base Information

• Chemical Name: Echitamine chloride
• CAS No.: 6878-36-0
• Molecular Formula: C22H29N2O4+
• NSC Number: 296566
• DSSTox Substance ID: DTXSID40434729

Synonyms:Echitamine, chloride;Echitamine chloride;6878-36-0;13H-3,8a-Methano-1H-azepino[1',2':1,2]pyrrolo[2,3-b]indolium,4-ethylidene-2,3,4,5,7,8-hexahydro-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-, chloride, (1S,3S,4E,8aS,13aR,14R)-;ECHITAMINE, HYDROCHLORIDE;ECHETAMINE CHLORIDE;DTXSID40434729;NSC296566;2,4(1H)-Cyclo-3,4-secoakuammilanium, 3,17-dihydroxy-16-(methoxycarbonyl)-4-methyl-, chloride, (3.beta.,16R)-;2,4-secoakuammilanium, 3,17-dihydroxy-16-(methoxycarbonyl)-4-methyl-, chloride, (3.beta.,16R)-;methyl (13Z)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate

Chemical Property of Echitamine chloride

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 385.21273241
• Heavy Atom Count: 28
• Complexity: 740

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1C[N+]2(CCC34C2(C(CC1C3(CO)C(=O)OC)O)NC5=CC=CC=C45)C
• Isomeric SMILES: C/C=C/1\C[N+]2(CCC34C2(C(CC1C3(CO)C(=O)OC)O)NC5=CC=CC=C45)C

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