Identiteta

7D7NP9ZED2

CAS 70149-63-2 · C15H13Cl2N3O5S

01Identiteta

Lazychem IDLC-09739
CAS RN70149-63-2
PubChem CID131883702
Molecular formulaC15H13Cl2N3O5S
Molecular weight418.26 g/mol
IUPAC name(6R,7R)-7-(2-(3,5-dichloro-4-oxopyridin-1(4H)-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyHIOXARKGMQFYCS-QMTHXVAHSA-N

02Struktura in stereokemija

2D structurePubChem CID 131883702
Two-dimensional chemical structure of 7D7NP9ZED2, CAS 70149-63-2
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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count3
Secondary amines0
Tertiary amines0
SMILESCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CN3C=C(C(=O)C(=C3)Cl)Cl)SC1)C(=O)O
InChINi navedeno

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 v Indiji

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

05Imena in povezave

API in matično zdravilo

Cefazedone

Nečistote in sorodne spojine

Imena in povezave

  • Cefazedone Impurity 4
  • Cefazedone Impurity 1
  • 70149-63-2
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-3-methyl-8-oxo-, (6R-trans)-
  • 7D7NP9ZED2
  • DTXSID101101571
  • (6R,7R)-7-[[2-(3,5-dichloro-4-oxopyridin-1-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R,7R)-7-(2-(3,5-dichloro-4-oxopyridin-1(4H)-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 7-[[2-(3,5-dichloro-4-oxopyridin-1-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-

Nečistote in sorodne spojine

06Viri