4-[(4-Amino-1-methyl-pyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonic acid
Basic information
- CAS
208576-38-9- Standard SMILES
Cn1cc(N)cc1C(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12- InChIKey
RGWGKRVKPVVMOJ-UHFFFAOYSA-N- Molecular formula
- C16H15N3O7S2
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.03514217
Names & identifiers
- Preferred name
- 4-[(4-Amino-1-methyl-pyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonic acid
- IUPAC
- 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonic acid
Names & synonyms
4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonic acid208576-38-9NSC655720CHEMBL1205225DTXSID803274241,7-Naphthalenedisulfonic acid, 4-[[(4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl]amino]-4-(4-Amino-1-methyl-1H-pyrrole-2-carboxamido)naphthalene-1,7-disulfonic acid
Database identifiers
- CAS
208576-38-9- PubChem CID
- 375723
- DTXSID
DTXSID80327424- ChEMBL
CHEMBL1205225
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 805
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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