Basic information
- CAS
73972-38-0- Standard SMILES
O=C(O)C1=C2C(=O)Nc3cccc(c32)C2(C1)C(=O)Nc1ccccc12- InChIKey
BMXOLQCTPIQVOD-UHFFFAOYSA-N- Molecular formula
- C19H12N2O4
- Average molar mass
- 332.3 g/mol
- Monoisotopic mass
- 332.07970687
Names & identifiers
- Preferred name
- 1',2,2',4-Tetrahydro-2,2'-dioxospiro(benz(CD)indole-5(1H),3'-(3H)indole)-3-carboxylic acid
- IUPAC
- 2,2'-dioxospiro[1,4-dihydrobenzo[cd]indole-5,3'-1H-indole]-3-carboxylic acid
- English name
- 1',2,2',4-Tetrahydro-2,2'-dioxospiro[benz[cd]indole-5(1H),3'-[3H]indole]-3-carboxylic acid
- Molecular formula
- C19H12N2O4
- Molecular weight
- 332.31
Names & synonyms
73972-38-0LY9USUBF42NSC-2032991',2,2',4-Tetrahydro-2,2'-dioxospiro(benz(cd)indole-5(1H),3'-(3H)indole)-3-carboxylic acid1',2,2',4-Tetrahydro-2,2'-dioxospiro[benz[cd]indole-5(1H),3'-[3H]indole]-3-carboxylic acidRefChem:1051373MLS0031071792,2'-dioxo-1',2,2',4-tetrahydro-1H-spiro[benzo[cd]indole-5,3'-indole]-3-carboxylic acidNSC 203299BRN 0899772NSC2032992,4-Dihydro-2,2'-dioxospiro(benz(c,d)indole-5(1H),3'-indoline)-3-carboxylic acid
Show more names
Spiro[benz[cd]indole-5(1H),3'-[3H]indole]-3-carboxylic acid, 1',2,2',4-tetrahydro-2,2'-dioxo-
UNII-LY9USUBF42CBMicro_013991ChemDiv1_008259Oprea1_623966Oprea1_716641DivK1c_002899CHEMBL2135963HMS610H09
Database identifiers
- CAS
73972-38-0、77188-93-3- PubChem CID
- 99749
- DTXSID
DTXSID90998442- ChEMBL
CHEMBL2135963- UNII
- LY9USUBF42
- Nikkaji
- J87.077C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 714
Physicochemical properties
- FDA UNII
- 9 USUBF42 · LY9USUBF42
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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