Basic information
- CAS
52156-73-7- Standard SMILES
CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3cc2-c2ccccc21- InChIKey
AYXKVDRDWWQQTD-UHFFFAOYSA-N- Molecular formula
- C19H14O5
- Average molar mass
- 322.3 g/mol
- Monoisotopic mass
- 322.08412354
Overview
anti-anaphylactic drug
Names & identifiers
- Preferred name
- PR-D-92
- IUPAC
- 5,5-dimethyl-11-oxoisochromeno[4,3-g]chromene-9-carboxylic acid
- English name
- PR-D-92
- Molecular formula
- C19H14O5
- Molecular weight
- 322.31
Names & synonyms
52156-73-7PR-D-92Prd-92 EaBUB6K7Y6BSPR-D 92EAPR-D-92-EANSC-293381DTXSID102001505,5-DIMETHYL-11-OXO-5H,11H-(2)BENZOPYRANO(4,3-G)(1)BENZOPYRAN-9-CARBOXYLIC ACIDRefChem:175685DTXCID101226415,5-dimethyl-11-oxoisochromeno[4,3-g]chromene-9-carboxylic acid
Show more names
5H,11H-[2]Benzopyrano[4,3-g][1]benzopyran-9-carboxylic acid, 5,5-dimethyl-11-oxo- (9CI)
MLS003115650NSC293381SMR0018312225,5-Dimethyl-11-oxo-5H,11H-(2)-benzopyrano(4,3-g)(1)benzopyran-9-carboxylic acid ethanolamine saltNSC 293381UNII-BUB6K7Y6BS5,5-dimethyl-11-oxo-5h,11h-benzo[c]pyrano[3,2-g]chromene-9-carboxylic acidPRD-92-Ea
Database identifiers
- CAS
52156-73-7- PubChem CID
- 72774
- DTXSID
DTXSID10200150- ChEMBL
CHEMBL2144387- UNII
- BUB6K7Y6BS
- Nikkaji
- J389.096A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 593
Physicochemical properties
- FDA UNII
- 6 K7Y6BS · BUB6K7Y6BS
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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