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Basic information
- CAS
137757-03-0- Standard SMILES
CN(C)c1cccc2c(S(=O)(=O)NCCCCCCCCCCC(=O)NCCCOc3cc(NC(=O)c4ccc5c(c4)C(C)(C)CCC5(C)C)ccc3C(=O)O)cccc12- InChIKey
XNMARPWJSQWVGC-UHFFFAOYSA-N- Molecular formula
- C48H64N4O7S
- Average molar mass
- 841.1 g/mol
- Monoisotopic mass
- 840.44957157
Names & identifiers
- Preferred name
- Dam-15
- IUPAC
- 2-[3-[11-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]undecanoylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
- English name
- 2-(aminopropyl-1-oxyl)-4-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carboxamido)benzoic acid
- Molecular formula
- C48H64N4O7S
- Molecular weight
- 841.11
Names & synonyms
Dam-15137757-03-0DTXSID30160303RefChem:919619DTXCID90827942-(Aminopropyl-1-oxyl)-4-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carboxamido)benzoic acidSCHEMBL309706792-(3-{11-[5-(Dimethylamino)naphthalene-1-sulfonamido]undecanamido}propoxy)-4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamido)benzoic acidBenzoic acid, 2-[3-[[11-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]-1-oxoundecyl]amino]propoxy]-4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]-
Database identifiers
- CAS
137757-03-0- PubChem CID
- 196893
- DTXSID
DTXSID30160303- Nikkaji
- J735.304I
Properties
Computed structural propertiesFilling in
- XLogP
- 10.8
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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