Chemical identity

7beta-(2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetamido)-3-methyl-3-cephem-4-carboxylic acid glycylaminobenzoyloxymethyl ester

CAS not listed · C14H15N5O5S2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-48835
PubChem CID5486821
Name7beta-(2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetamido)-3-methyl-3-cephem-4-carboxylic acid glycylaminobenzoyloxymethyl ester
CAS RNNot listed
Molecular formulaC14H15N5O5S2
Molecular weight397.4 g/mol
IUPAC name(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKeyMQLRYUCJDNBWMV-RWFJUVPESA-N

02Structure identifiers

2D structurePubChem CID 5486821
2D structure: 7beta-(2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetamido)-3-methyl-3-cephem-4-carboxylic acid glycylaminobenzoyloxymethyl ester
Structure of 7beta-(2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetamido)-3-methyl-3-cephem-4-carboxylic acid glycylaminobenzoyloxymethyl ester. LazyChem record. Source identity: PubChem CID 5486821. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC14H15N5O5S2
InChIKeyMQLRYUCJDNBWMV-RWFJUVPESA-N
Ring count3
Defined stereocentres2
Unassigned stereocentres0
SMILESCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)O
InChIInChI=1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7+/t8-,12-/m1/s1

03Stereochemistry

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

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

3 records

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.

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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo CAS number is available for an exact comparison. Generic and analogue entries were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESNo CAS number is available for an exact comparison. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

No synonyms are listed.

Related records from the same parent family

No related records are linked by parent name.

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources