3-({4-[(E)-(2-Chloro-5-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]-1-hydroxy-2-naphthoyl}amino)-4-[methyl(octadecyl)amino]benzenesulfonic acid
Basic information
- CAS
478250-29-2- Standard SMILES
CCCCCCCCCCCCCCCCCCN(C)c1ccc(S(=O)(=O)O)cc1NC(=O)c1cc(N=Nc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c2ccccc2c1O- InChIKey
GACNLHAZOVSTCC-UHFFFAOYSA-N- Molecular formula
- C49H62ClN5O7S2
- Average molar mass
- 932.6 g/mol
- Monoisotopic mass
- 931.3779194
Names & identifiers
- Preferred name
- 3-({4-[(E)-(2-Chloro-5-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]-1-hydroxy-2-naphthoyl}amino)-4-[methyl(octadecyl)amino]benzenesulfonic acid
- IUPAC
- 3-[[4-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]-1-hydroxynaphthalene-2-carbonyl]amino]-4-[methyl(octadecyl)amino]benzenesulfonic acid
Names & synonyms
478250-29-23-({4-[(E)-(2-CHLORO-5-{[(4-METHYLPHENYL)SULFONYL]AMINO}PHENYL)DIAZENYL]-1-HYDROXY-2-NAPHTHOYL}AMINO)-4-[METHYL(OCTADECYL)AMINO]BENZENESULFONIC ACID3-((4-((E)-(2-CHLORO-5-(((4-METHYLPHENYL)SULFONYL)AMINO)PHENYL)DIAZENYL)-1-HYDROXY-2-NAPHTHOYL)AMINO)-4-(METHYL(OCTADECYL)AMINO)BENZENESULFONIC ACIDRefChem:488511632-296-8SCHEMBL14429895STK382585AKOS005451414ST508731503-({4-[(2-chloro-5-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]-1-hydroxy (2-naphthyl)}carbonylamino)-4-(methyloctadecylamino)benzenesulfonic acid3-[({4-[(E)-(2-chloro-5-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]-1-hydroxynaphthalen-2-yl}carbonyl)amino]-4-[methyl(octadecyl)amino]benzenesulfonic acid
Database identifiers
- CAS
478250-29-2- PubChem CID
- 5100151
- EC Number
- 632-296-8
Properties
Computed structural properties
- XLogP
- 15.2
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 26
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,600
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Compound notes
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