Carbazochrome sodium sulfonateProduct ingredient for Carbazochrome sulfonic acid
- Name
- Carbazochrome sodium sulfonate
- Drug Entry
- Carbazochrome sulfonic acid
- Accession Number
- DBSALT003091
- Structure
Structure for Carbazochrome sodium sulfonate (DBSALT003091)
- Synonyms
- Carbazochrome sodium sulfonate / Carbazochrome sulfonate de sodium / Carbzocromo sulfonato sodico / Natrii carbazochromi sulfonas
- External IDs
- 257-217-0 / AC 17 / AC-17
- UNII
- J0I08M946E
- CAS Number
- 51460-26-5
- Weight
- Average: 322.27
Monoisotopic: 322.03478492 - Chemical Formula
- C10H11N4NaO5S
- InChI Key
- HLFCZZKCHVSOAP-DAMYXMBDSA-M
- InChI
- InChI=1S/C10H12N4O5S.Na/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19;/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19);/q;+1/p-1/b12-6-;
- IUPAC Name
- sodium (5Z)-5-[(carbamoylamino)imino]-1-methyl-6-oxo-2,3,5,6-tetrahydro-1H-indole-2-sulfonate
- SMILES
- [Na+].CN1C(CC2=C\C(=N\NC(N)=O)C(=O)C=C12)S([O-])(=O)=O
- External Links
- ChemSpider
- 4882022
- ChEMBL
- CHEMBL2104065
- Wikipedia
- Carbazochrome
- Predicted Properties
Property Value Source Water Solubility 2.88 mg/mL ALOGPS logP -0.18 ALOGPS logP -2.5 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) -1.3 Chemaxon pKa (Strongest Basic) 1.62 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 144.99 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 69.7 m3·mol-1 Chemaxon Polarizability 27.03 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon