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Substance Name: NCS-382 sodium
RN: 639070-43-2
UNII: 6QI4I5N23X
InChIKey: BTWDZCORIHHOPO-VRTOBVRTSA-M

Molecular Formula

  • C13-H13-O3.Na

Molecular Weight

  • 240.2327
 
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Names and Synonyms

Name of Substance

  • NCS-382 sodium

Synonyms

  • Acetic acid, 2-(5,7,8,9-tetrahydro-5-hydroxy-6H-benzocyclohepten-6-ylidene)-, sodium salt (1:1)
  • NCS-382 sodium
  • NCS-382 sodium salt
  • UNII-6QI4I5N23X

Registry Numbers

CAS Registry Number

  • 639070-43-2

FDA UNII

  • 6QI4I5N23X

System Generated Number

  • 0639070432

Structure Descriptors

InChI

1S/C13H14O3.Na/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16;/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15);/q;+1/p-1/b10-8+;

InChIKey

BTWDZCORIHHOPO-VRTOBVRTSA-M

Smiles

[Na+].OC1\C(=C\C(=O)[O-])\CCCc2ccccc12