NXL 101

CAS Registry Number®

904302-98-3
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CAS Name

NXL 101

Molecular Formula

C25H29FN2O4S2

Molecular Mass

504.64

Cite this Page

NXL 101.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=904302-98-3 (retrieved 2024-05-20) (CAS RN: 904302-98-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1

InChIKey

InChIKey=USGHRRVFKSLEJT-WVBUVRCRSA-N

SMILES

[C@@H](CC[C@H]1[C@@H](C(O)=O)CN(CCSC2=CC=CS2)CC1)(O)C=3C4=C(C=CC(OC)=C4)N=CC3F

Canonical SMILES

O=C(O)C1CN(CCSC=2SC=CC2)CCC1CCC(O)C=3C(F)=CN=C4C=CC(OC)=CC43

Other Names for this Substance

  • 3-Piperidinecarboxylic acid, 4-[(3S)-3-(3-fluoro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-1-[2-(2-thienylthio)ethyl]-, (3R,4R)-
  • (3R,4R)-4-[(3S)-3-(3-Fluoro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-1-[2-(2-thienylthio)ethyl]-3-piperidinecarboxylic acid
  • Viquidacin
  • NXL 101

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