[(4R,6R,8R)-11-[2-(dimethylamino)ethyl-methylamino]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Basic information
- CAS
86689-60-3- Standard SMILES
COC12[C@@H]3N[C@@H]3CN1C1=C(C(=O)C(N(C)CCN(C)C)=C(C)C1=O)[C@@H]2COC(N)=O- InChIKey
KNDFPSMFWBUTAB-YCTCWPPBSA-N- Molecular formula
- C20H29N5O5
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.21686904
Names & identifiers
- Preferred name
- [(4R,6R,8R)-11-[2-(dimethylamino)ethyl-methylamino]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
- IUPAC
- [(4R,6R,8R)-11-[2-(dimethylamino)ethyl-methylamino]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Names & synonyms
NSC36646986689-60-3CHEMBL35397DTXSID10320928NSC-366469[(1aR,8R,8bR)-6-{[2-(Dimethylamino)ethyl](methyl)amino}-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
Database identifiers
- CAS
86689-60-3- PubChem CID
- 339533
- DTXSID
DTXSID10320928- ChEMBL
CHEMBL35397
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 881
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Compound notes
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