Azirino(2',3':3,4)pyrrolo(1,2-a)indole-1(2H)-carboxylic acid, 1a,4,7,8,8a,8b-hexahydro-6-amino-4,7-dioxo-8-(hydroxymethyl)-8a-methoxy-5-methyl-, ethyl ester, carbamate (ester)

Base Information

• Chemical Name: Azirino(2',3':3,4)pyrrolo(1,2-a)indole-1(2H)-carboxylic acid, 1a,4,7,8,8a,8b-hexahydro-6-amino-4,7-dioxo-8-(hydroxymethyl)-8a-methoxy-5-methyl-, ethyl ester, carbamate (ester)
• CAS No.: 4049-28-9
• Molecular Formula: C18H22N4O7
• Molecular Weight: 406.3899
• DSSTox Substance ID: DTXSID40960871
• Mol file: 4049-28-9.mol

Synonyms:BRN 0865522;4049-28-9;Azirino(2',3':3,4)pyrrolo(1,2-a)indole-1(2H)-carboxylic acid, 1a,4,7,8,8a,8b-hexahydro-6-amino-4,7-dioxo-8-(hydroxymethyl)-8a-methoxy-5-methyl-, ethyl ester, carbamate (ester);DTXSID40960871;C18H22N4O7;LS-23377;Ethyl 6-amino-8-{[hydroxy(imino)methoxy]methyl}-8a-methoxy-5-methyl-4,7-dioxo-1a,4,7,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-1(2H)-carboxylate

Chemical Property of Azirino(2',3':3,4)pyrrolo(1,2-a)indole-1(2H)-carboxylic acid, 1a,4,7,8,8a,8b-hexahydro-6-amino-4,7-dioxo-8-(hydroxymethyl)-8a-methoxy-5-methyl-, ethyl ester, carbamate (ester)

Chemical Property:

• Boiling Point: 625°Cat760mmHg
• Flash Point: 331.8°C
• Density: 1.53g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 406.14884905
• Heavy Atom Count: 29
• Complexity: 910

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1C2C1C3(C(C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
• Isomeric SMILES: CCOC(=O)N1C2C1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC