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3,8-Dihydroxy-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

HCID 124686
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Basic informationNames & identifiersRelated reactionsCompound notes
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Basic information

CAS
59593-15-6
Standard SMILES
COc1cc2c(cc1O)N=C[C@@H]1CC[C@@H](O)N1C2=O
InChIKey
FXMOIYLVKOALHC-JVXZTZIISA-N
Molecular formula
C13H14N2O4
Average molar mass
262.265 g/mol
Monoisotopic mass
262.09535693

Names & identifiers

Preferred name
3,8-Dihydroxy-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
IUPAC
(3R,11aS)-3,8-Dihydroxy-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
English name
neothramycin B
Molecular formula
C13H14N2O4
Molecular weight
262.26

Names & synonyms

neothramycin B(3R)-1,2,3,11aβ-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-, (3R,11aS)-

Database identifiers

CAS
59593-15-6
PubChem CID
124686
DTXSID
DTXSID90974988
Nikkaji
J12.358G

Related reactions

2 records
New reaction record
HRID 2071882 reaction equation
HRID 2071882As productuspto-grants-1977_09
HRID 2419201 reaction equation
HRID 2419201As productuspto-grants-1978_08

Compound notes

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