Basic information
- CAS
30823-13-3- Standard SMILES
CC1=C(N(C)C)C(=O)C2=C(C1=O)N1CC3C(N3C)[C@]1(O)[C@@H]2COC(N)=O- InChIKey
PTDRXMIOUXHXFC-QIXFNWECSA-N- Molecular formula
- C17H22N4O5
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.15901982
Names & identifiers
- Preferred name
- [(8S,8aR)-6-(Dimethylamino)-8a-hydroxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
- IUPAC
- [(7R,8S)-11-(dimethylamino)-7-hydroxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
DTXSID40953021[(8S,8aR)-6-(Dimethylamino)-8a-hydroxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate[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
Database identifiers
- CAS
30823-13-3- PubChem CID
- 35523
- DTXSID
DTXSID40953021
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 816
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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