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Substance Name: Pranlukast hydrate
RN: 150821-03-7
UNII: FR702N558K
InChIKey: MSXTUBJFNBZPGC-UHFFFAOYSA-N

Molecular Formula

  • C27-H23-N5-O4.1/2H2-O

Molecular Weight

  • 981.034
 
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Names and Synonyms

Results Name

  • Pranlukast hydrate

Name of Substance

  • Pranlukast hemihydrate

Synonym

  • UNII-FR702N558K

Systematic Name

  • Benzamide, N-(4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)-, hydrate (2:1)

Registry Numbers

CAS Registry Number

  • 150821-03-7

FDA UNII

  • FR702N558K

System Generated Number

  • 0150821037

Structure Descriptors

InChI

1S/2C27H23N5O4.H2O/c2*33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18;/h2*1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32);1H2

InChIKey

MSXTUBJFNBZPGC-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)OCCCCc1ccccc1)(=O)Nc1cccc2c(=O)cc(c3[nH]nnn3)oc12.C(c1ccc(cc1)OCCCCc1ccccc1)(=O)Nc1cccc2c(cc(oc12)c1nnn[nH]1)=O.O