Virstatin

CAS Registry Number®

88909-96-0

CAS Name

Virstatin

Molecular Formula

C16H13NO4

Molecular Mass

283.28

Cite this Page

Virstatin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88909-96-0 (retrieved 2024-11-25) (CAS RN: 88909-96-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    186-188 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H13NO4/c18-13(19)8-3-9-17-15(20)11-6-1-4-10-5-2-7-12(14(10)11)16(17)21/h1-2,4-7H,3,8-9H2,(H,18,19)

InChIKey

InChIKey=ZHXRDXTYPCPBTI-UHFFFAOYSA-N

SMILES

O=C1C=2C=3C(C(=O)N1CCCC(O)=O)=CC=CC3C=CC2

Canonical SMILES

O=C(O)CCCN1C(=O)C=2C=CC=C3C=CC=C(C1=O)C32

Other Names for this Substance

  • 1H-Benz[de]isoquinoline-2(3H)-butanoic acid, 1,3-dioxo-
  • 1,3-Dioxo-1H-benz[de]isoquinoline-2(3H)-butanoic acid
  • Virstatin
  • ALX 430-147
  • 4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate

Deleted or Replaced CAS Registry Numbers

884230-35-7

CAS INSIGHTSTM
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