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(Q76387787)
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English
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-2-ethylidene-8-hydroxy-7-methoxy-, (S-(E))-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
benzodiazepine alkaloid
1 reference
based on heuristic
inferred from SMILES
mass
274.131742436
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₁₈N₂O₃
0 references
canonical SMILES
CC=C1CC2CNc3cc(O)c(OC)cc3C(=O)N2C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C/C=C/1\C[C@H]2CNC3=CC(=C(C=C3C(=O)N2C1)OC)O
0 references
Identifiers
InChI
InChI=1S/C15H18N2O3/c1-3-9-4-10-7-16-12-6-13(18)14(20-2)5-11(12)15(19)17(10)8-9/h3,5-6,10,16,18H,4,7-8H2,1-2H3/b9-3+/t10-/m0/s1
0 references
InChIKey
ADJCUGGUTJEHEC-RZCNENHTSA-N
0 references
PubChem CID
6446898
1 reference
matched by identifier from
InChIKey
InChIKey
ADJCUGGUTJEHEC-RZCNENHTSA-N
UniChem compound ID
55086891
1 reference
stated in
UniChem
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