Tetrodonic acid

CAS Registry Number®

3270-35-7

CAS Name

Tetrodonic acid

Molecular Formula

C11H17N3O8

Molecular Mass

319.27

Cite this Page

Tetrodonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3270-35-7 (retrieved 2025-01-05) (CAS RN: 3270-35-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H17N3O8/c12-9-13-7-2-3(16)10(21,1-15)4(17)5(18)11(2,14-9)6(22-7)8(19)20/h2-7,15-18,21H,1H2,(H,19,20)(H3,12,13,14)

InChIKey

InChIKey=MWPMJZZQPDXVJT-UHFFFAOYSA-N

SMILES

C(O)(=O)C1C23C(C(O1)N=C(N)N2)C(O)C(CO)(O)C(O)C3O

Canonical SMILES

O=C(O)C1OC2N=C(N)NC31C(O)C(O)C(O)(CO)C(O)C23

Other Names for this Substance

  • 1H-4,8a-(Epoxymethano)quinazoline-9-carboxylic acid, 2-amino-4,4a,5,6,7,8-hexahydro-5,6,7,8-tetrahydroxy-6-(hydroxymethyl)-, (4S,4aR,5R,6S,7R,8R,8aR,9R)-
  • Tetrodonic acid
  • 1H-4,8a-(Epoxymethano)quinazoline-9-carboxylic acid, 2-amino-4,4a,5,6,7,8-hexahydro-5,6,7,8-tetrahydroxy-6-(hydroxymethyl)-, [4S-(4α,4aβ,5α,6β,7β,8β,8aα,9S*)]-
  • (4S,4aR,5R,6S,7R,8R,8aR,9R)-2-Amino-4,4a,5,6,7,8-hexahydro-5,6,7,8-tetrahydroxy-6-(hydroxymethyl)-1H-4,8a-(epoxymethano)quinazoline-9-carboxylic acid
  • Tetrodoic acid

Deleted or Replaced CAS Registry Numbers

17289-95-1

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