Basic information
- CAS
524-26-5- Standard SMILES
CN(C)c1ccc2[nH]c3c(C(=O)O)cc(=O)c(=O)c=3oc2c1- InChIKey
YBGOLOJQJWLUQP-UHFFFAOYSA-N- Molecular formula
- C15H12N2O5
- Average molar mass
- 300.27 g/mol
- Monoisotopic mass
- 300.07462149
Names & identifiers
- Preferred name
- Callocyanine
- IUPAC
- 7-(dimethylamino)-3,4-dioxo-10H-phenoxazine-1-carboxylic acid
- English name
- GALLOCYANINE, CHLORIDE FREE
- Molecular formula
- C15
- Molecular weight
- 300.27
Names & synonyms
Callocyanine524-26-57-(Dimethylamino)-4-hydroxy-3-oxo-3H-phenoxazine-1-carboxylic acid7-(dimethylamino)-3,4-dioxo-10H-phenoxazine-1-carboxylic acidNSC8642CHEMBL3747431starbld0044434IIIC3Gallocyanine,CI 51030orb3173003CHEMBL1162107SCHEMBL10327210
Show more names
IIIC3 (GallocyanineDickkopf inhibitor IIIC3)GALLOCYANINE, CHLORIDE FREE3H-Phenoxazine-1-carboxylic acid, 7-(dimethylamino)-4-hydroxy-3-oxo-
DTXSID50966809NSC-8642BDBM50135174EX-A14982ST0094937-(dimethylamino)-4-hydroxy-3-oxophenoxazinecarboxylic acid7-Dimethylamino-4-hydroxy-3-oxo-phenoxazine-1-carboxylic acid7-(dimethylamino)-4-hydroxy-3-oxo-phenoxazine-1-carboxylic acid
Database identifiers
- CAS
524-26-5- PubChem CID
- 73802
- DTXSID
DTXSID50966809- ChEMBL
CHEMBL1162107、CHEMBL3747431- Nikkaji
- J1.801.358D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 619
Chemistry & industry
Suppliers5 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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