CP-533,536 metabolite M4

HCID 9956982

Completing data — usually done within a minute

Basic information

CAS
574759-32-3
Standard SMILES
CC(C)(CO)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1
InChIKey
XKQNMAZMTKTTIA-UHFFFAOYSA-N
Molecular formula
C25H28N2O6S
Average molar mass
484.6 g/mol

Names & identifiers

Preferred name
CP-533,536 metabolite M4
IUPAC
2-[3-[[[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid

Names & synonyms

CP-533,536 metabolite M4598TY5TBF1UNII-598TY5TBF1574759-32-3(3-(((4-(2-Hydroxy-1,1-dimethylethyl)benzyl)-N-((pyridin-3-yl)sulfonyl)amino)methyl)phenoxy)acetic acid2-(3-((((4-(2-Hydroxy-1,1-dimethylethyl)phenyl)methyl)(3-pyridinylsulfonyl)amino)methyl)phenoxy)acetic acidAcetic acid, 2-(3-((((4-(2-hydroxy-1,1-dimethylethyl)phenyl)methyl)(3-pyridinylsulfonyl)amino)methyl)phenoxy)-OMEGA-HYDROXY EVATANEPAGSCHEMBL6276293XKQNMAZMTKTTIA-UHFFFAOYSA-N(3-{[[4-(2-Hydroxy-1,1-dimethyl-ethyl)-benzyl]-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid

Database identifiers

CAS
574759-32-3
PubChem CID
9956982
UNII
598TY5TBF1

Properties

Computed structural propertiesFilling in

XLogP
3
Topological polar surface area
125 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
34

Related reactions

2 records

Compound notes

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