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Substance Name: Butanoic acid, 4-((4-(7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo(1,5-b)(1,2,4)triazol-2-yl)phenyl)amino)-4-oxo-, tetradecyl ester
RN: 152827-98-0
InChIKey: NDBITMMNYHLKCV-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C32-H48-Cl-N5-O3

Molecular Weight

  • 586.2162
 
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Names and Synonyms

  • Butanoic acid, 4-((4-(7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo(1,5-b)(1,2,4)triazol-2-yl)phenyl)amino)-4-oxo-, tetradecyl ester

Registry Numbers

CAS Registry Number

  • 152827-98-0

System Generated Number

  • 0152827980

Structure Descriptors

InChI

1S/C32H48ClN5O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-41-27(40)22-21-26(39)34-25-19-17-24(18-20-25)30-35-31-28(33)29(32(2,3)4)36-38(31)37-30/h17-20H,5-16,21-23H2,1-4H3,(H,34,39)(H,35,37)

InChIKey

NDBITMMNYHLKCV-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCOC(=O)CCC(=O)Nc1ccc(cc1)c2nn3nc(c(Cl)c3[nH]2)C(C)(C)C