Chlorozotocin

CAS Registry Number®

54749-90-5
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CAS Name

Chlorozotocin

Molecular Formula

C9H16ClN3O7

Molecular Mass

313.69

Cite this Page

Chlorozotocin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=54749-90-5 (retrieved 2024-04-26) (CAS RN: 54749-90-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    147-148 °C (decomp)

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C9H16ClN3O7/c10-1-2-13(12-20)9(19)11-5(3-14)7(17)8(18)6(16)4-15/h3,5-8,15-18H,1-2,4H2,(H,11,19)/t5-,6+,7+,8+/m0/s1

InChIKey

InChIKey=MKQWTWSXVILIKJ-LXGUWJNJSA-N

SMILES

[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)(NC(N(CCCl)N=O)=O)C=O

Canonical SMILES

O=NN(C(=O)NC(C=O)C(O)C(O)C(O)CO)CCCl

Other Names for this Substance

  • D-Glucose, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy-
  • 2-[[[(2-Chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy-D-glucose
  • Chlorozotocin
  • NSC 178248
  • DCNU

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