5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-3,8-dihydroxy-7-methoxy-, (3R-cis)-

HCID 149481

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 72274-97-6
Standard SMILES: COc1cc2c(cc1O)NC[C@@H]1CC[C@@H](O)N1C2=O
InChIKey: RGLHUTLVRQIRSK-JVXZTZIISA-N
Molecular formula: C13H16N2O4
Average molar mass: 264.28 g/mol
Monoisotopic mass: 264.111007

Names & identifiers

Preferred name: 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-3,8-dihydroxy-7-methoxy-, (3R-cis)-
IUPAC: (6aS,9R)-3,9-dihydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
English name: 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-3 ,8-dihydroxy-7-methoxy-, (3R-cis)-
Molecular formula: C13H16N2O4
Molecular weight: 264.27714

Names & synonyms

10,11-Dihydroneothramycin B72274-97-65H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-3,8-dihydroxy-7-methoxy-, (3R-cis)-5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-3 ,8-dihydroxy-7-methoxy-, (3R-cis)-

Database identifiers

CAS: 72274-97-6
PubChem CID: 149481

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 82 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 365

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…