Identitet

EINECS 262-867-3

CAS 61607-66-7 · C13H19N7O3S2

01Identitet

Lazychem IDLC-09979
CAS RN61607-66-7
PubChem CID6454229
Molecular formulaC13H19N7O3S2
Molecular weight385.46 g/mol
IUPAC name(6R,7R)-7-amino-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyGXYPNLAGPFOZBS-LDYMZIIASA-N

02Struktur og stereokemi

2D structurePubChem CID 6454229
Two-dimensional chemical structure of EINECS 262-867-3, CAS 61607-66-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count3
Secondary amines0
Tertiary amines1
SMILESCN(C)CCN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O
InChIIkke angivet

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Status i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Navne og relationer

API og moderlægemiddel

Cefotiam

Urenheder og beslægtede forbindelser

Navne og relationer

  • Cefotiam Impurity 8
  • (6R-trans)-7-Amino-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • 61607-66-7
  • EINECS 262-867-3
  • (6R,7R)-7-amino-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Cefotiam Impurity 7
  • (6R,7R)-7-amino-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • SCHEMBL6153324
  • DTXSID60210623
  • GXYPNLAGPFOZBS-LDYMZIIASA-N
  • NS00034744
  • (6R,7R)-7-Amino-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Urenheder og beslægtede forbindelser

06Kilder