Molecular properties
- Formula
- C17H17N7O8S4
- Molar mass
- 575.63 g·mol−1
- Exact mass
- 575.0021 Da
- 13
- PubChem CID
- 53025
Molecule record
(6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C17H17N7O8S4
575.63 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkene
Amide
Carboxylic acid
Ether
Primary amine
Secondary amine
Sulfide
Tertiary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 48SPP0PA9Q
- 69712-56-7
- Apacef
- BRN 1208088
- C17H17N7O8S4
- CAS-69712-56-7
- CEFOTETAN [INN]
- CEFOTETAN [JAN]
Show all 24 synonyms
- Cefotan
- Cefotetan (Standard)
- Cefotetan [USAN:USP:INN:BAN]
- Cefotetanum
- Cefotetanum [INN-Latin]
- DTXSID1022762
- EINECS 274-093-3
- ICI 156,834
- MFCD00864983
- MLS002153829
- NCGC00016914-01
- NSC-760045
- SMR001233197
- UNII-48SPP0PA9Q
- YM 09330
- cefotetan
Structure identifiers
- Canonical SMILES
- CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
- Isomeric SMILES
- CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O
- InChI
- InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/t13?,15-,17+/m1/s1
- InChIKey
- SRZNHPXWXCNNDU-RHBCBLIFSA-N
- PubChem CID
- 53025
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,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-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,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-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.