Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-1,5-dimethyl-6-dimethylamino-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate

Base Information

• Chemical Name: Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-1,5-dimethyl-6-dimethylamino-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate
• CAS No.: 30823-13-3
• Molecular Formula: C17H22 N4 O5
• Molecular Weight: 362.3804
• DSSTox Substance ID: DTXSID40953021
• Mol file: 30823-13-3.mol

Synonyms:BRN 0584816;30823-13-3;Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-1,5-dimethyl-6-dimethylamino-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate;DTXSID40953021;LS-23426;[6-(Dimethylamino)-8a-hydroxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate;Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-6-(dimethylamino)-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-1,5-dimethyl-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-

Chemical Property of Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-1,5-dimethyl-6-dimethylamino-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate

Chemical Property:

• Boiling Point: 586.8°Cat760mmHg
• Flash Point: 308.7°C
• PSA: 117.17000
• Density: 1.51g/cm³
• LogP: -0.97060
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 362.15901982
• Heavy Atom Count: 26
• Complexity: 816

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)O)N4C)N(C)C
• Isomeric SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)O)N4C)N(C)C