Molecular properties
- Formula
- C18H18N8O7S3
- Molar mass
- 554.59 g·mol−1
- Exact mass
- 554.0461 Da
- 14
- PubChem CID
- 5479530
Molecule record
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C18H18N8O7S3
554.59 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkene
Amide
Aromatic ring
Carboxylic acid
Primary amine
Secondary amine
Sulfide
Tertiary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 277-405-6
- 73384-59-5
- 75J73V1629
- Anhydrous Ceftriaxone Sodium
- Biotrakson
- CHEBI:29007
- Cefatriaxone
- Ceftriaxon
Show all 24 synonyms
- Ceftriaxona
- Ceftriaxonum
- Ceftriazone
- DTXCID902773
- DTXSID0022773
- J01DA13
- RefChem:5655
- Ro 13 9904
- Ro13 9904
- Ro139904
- Rocefalin
- Rocefin
- Rocephin
- Rocephine
- ceftriaxone
- ceftriaxonum natricum
Structure identifiers
- Canonical SMILES
- CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CS[C@H]12)c1csc(N)n1
- Isomeric SMILES
- CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O
- InChI
- InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
- InChIKey
- VAAUVRVFOQPIGI-SPQHTLEESA-N
- PubChem CID
- 5479530
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.