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Substance Name: JNJ-39933673 hemihydrate
RN: 1404307-42-1
UNII: P4B6L1259C
InChIKey: QTJKOHRWIMHEQU-IXTAHIKASA-N

Molecular Formula

  • 2C24-H26-F-N-O5.H2-O

Molecular Weight

  • 872.9536
 
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Names and Synonyms

Name of Substance

  • JNJ-39933673 hemihydrate

Synonyms

  • 1H-Indole, 3-((4-cyclopropylphenyl)methyl)-4-fluoro-1-beta-D-glucopyranosyl-, hydrate (2:1)
  • JNJ-39933673 hemihydrate
  • TA-1887 hemihydrate
  • UNII-P4B6L1259C

Registry Numbers

CAS Registry Number

  • 1404307-42-1

FDA UNII

  • P4B6L1259C

System Generated Number

  • 1404307421

Structure Descriptors

InChI

1S/2C24H26FNO5.H2O/c2*25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-26(18)24-23(30)22(29)21(28)19(12-27)31-24;/h2*1-7,11,15,19,21-24,27-30H,8-10,12H2;1H2/t2*19-,21-,22+,23-,24-;/m11./s1

InChIKey

QTJKOHRWIMHEQU-IXTAHIKASA-N

Smiles

c1cc2c(c(c1)F)c(cn2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cc4ccc(cc4)C5CC5.c1cc2c(c(c1)F)c(cn2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cc4ccc(cc4)C5CC5.O