Cas no 290815-26-8 (Avosentan)

Avosentan structure
Avosentan structure
Product Name:Avosentan
CAS No:290815-26-8
MF:C23H21N5O5S
MW:479.508343458176
MDL:MFCD23843806
CID:258784
PubChem ID:9912992
Update Time:2025-04-19

Avosentan Chemical and Physical Properties

Names and Identifiers

    • N-(6-Methoxy-5-(2-methoxyphenoxy)-2-(pyridin-4-yl)pyrimidin-4-yl)-5-methylpyridine-2-sulfonamide
    • Avosentan
    • 2-Pyridinesulfonamide,N-[6-methoxy-5-(2-methoxyphenoxy)-2-(4-pyridinyl)-4-pyrimidinyl]-5-methy...
    • 2-Pyridinesulfonamide,N-[6-methoxy-5-(2-methoxyphenoxy)-2-(4-pyridinyl)-4-pyrimidinyl]-5-methyl-
    • N-(6-Methoxy-5-(2-methoxyphenoxy)-2-(pyridin-4-yl)-pyrimidin-4-yl)-5-methylpyridine-2-sulfonamide
    • 2-Pyridinesulfonamide, N-(6-methoxy-5-(2-methoxyphenoxy)-2-(4-pyridinyl)-4-pyrimidinyl)-5-methyl-
    • 5-methylpyridine-2-sulfonic acid (6-methoxy-5-(2-methoxyphenoxy)-2-(pyridin-4-yl)pyrimidin-4-yl)amide
    • 5-methylpyridine-2-sulfonic acid [6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]amide
    • Ro 67-0565
    • SPP301
    • SPP-301
    • UNII-L94KSX715K
    • N-[6-Methoxy-5-(2-methoxyphenoxy)-2-(4-pyridinyl)-4-pyrimidinyl]-5-methyl-2-pyridinesulfonamide
    • 290815-26-8
    • Q27074636
    • F84811
    • BCP28417
    • RO-67-0565
    • Ro670565
    • L001646
    • MS-28915
    • Avosentan,CAS:290815-26-8
    • SCHEMBL2742679
    • AC-33590
    • NCGC00379058-01
    • YBWLTKFZAOSWSM-UHFFFAOYSA-N
    • L94KSX715K
    • Avosentan [INN]
    • DTXSID30183330
    • 2-Pyridinesulfonamide, N-[6-methoxy-5-(2-methoxyphenoxy)-2-(4-pyridinyl)-4-pyrimidinyl]-5-methyl-
    • CS-0625
    • Ro 67-0565; SPP-301
    • N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
    • 5-methyl-pyridine-2-sulfonic acid [6-methoxy-5-(2-methoxy-phenoxy)-2-pyridin-4-yl-pyrimidin-4-yl]-amide
    • FT-0662342
    • CHEMBL3989834
    • HY-15195
    • SPP 301
    • HMS3741G07
    • GTPL8260
    • 5-methyl-pyridine-2-sulfonic acid[6-methoxy-5-(2-methoxy-phenoxy)-2-pyridin-4-yl-pyrimidin-4-yl]-amide
    • BDBM50532577
    • N-(6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl)-5-methylpyridine-2-sulfonamide
    • BRD-K19203487-001-01-4
    • DA-71170
    • DTXCID40105821
    • avosentanum
    • MDL: MFCD23843806
    • Inchi: 1S/C23H21N5O5S/c1-15-8-9-19(25-14-15)34(29,30)28-22-20(33-18-7-5-4-6-17(18)31-2)23(32-3)27-21(26-22)16-10-12-24-13-11-16/h4-14H,1-3H3,(H,26,27,28)
    • InChI Key: YBWLTKFZAOSWSM-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CN=1)(NC1C(=C(N=C(C2C=CN=CC=2)N=1)OC)OC1C=CC=CC=1OC)(=O)=O

Computed Properties

  • Exact Mass: 479.12653
  • Monoisotopic Mass: 479.12633996g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 8
  • Complexity: 732
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 3.1
  • Topological Polar Surface Area: 134?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.363
  • Melting Point: Not available
  • Boiling Point: 575.472°C at 760 mmHg
  • Flash Point: 301.835 °C
  • PSA: 125.42

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