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6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[(1-carboxy-3-phenylpropyl)amino]octahydro-6,10-dioxo-, [1S-[1α,9α(R*)]]-

6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[(1-carboxy-3-phenylpropyl)amino]octahydro-6,10-dioxo-, [1S-[1α,9α(R*)]]- structure

CAS No:
88851-65-4
Formula:
C20H25N3O6
Chemical Name:
6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[(1-carboxy-3-phenylpropyl)amino]octahydro-6,10-dioxo-, [1S-[1α,9α(R*)]]-
Synonyms:
6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid,9-[(1-carboxy-3-phenylpropyl)amino]octahydro-6,10-dioxo-,[1S-[1α,9α(R*)]]-

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6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[(1-carboxy-3-phenylpropyl)amino]octahydro-6,10-dioxo-, [1S-[1α,9α(R*)]]- Basic Attributes

Molecular Weight：

403.4 g/mol

Exact Mass：

403.43

UNII：

931EL1054M

DSSTox ID：

DTXSID50237384

Characteristics

PSA：

127 Å²

Drug Information

MeSH Entry Terms：

Ro 31-2201

Computed Properties

Molecular Weight:403.4
XLogP3:-1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:403.17433553
Monoisotopic Mass:403.17433553
Topological Polar Surface Area:127
Heavy Atom Count:29
Complexity:648
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[(1-carboxy-3-phenylpropyl)amino]octahydro-6,10-dioxo-, [1S-[1α,9α(R*)]]-

Basic Attributes
Characteristics
Drug Information
Computed Properties

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