carfecillin
CHEBI:3414
·resolve ·ANTIMICROBIAL_UNSPECIFIED
·EXACT
SEEDED
Machine-generated and unreviewed. Identity, structure and
cross-references come straight from ChEBI's and CARD's own data; no curator has
signed off on this record yet.
Classification
Strictly broader compounds or drug classes this molecule belongs to.
Chemical structure
Computed structure properties
| Molecular formula | C23H22N2O6S |
|---|
| Charge | 0 |
|---|
| Average mass | 454.504 Da |
|---|
| Monoisotopic mass | 454.11986 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | NZDASSHFKWDBBU-KVMCETHSSA-N |
|---|
SMILES
[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccccc1)c1ccccc1
InChI
InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15?,16-,17+,20-/m1/s1
Also called
- carfecilina (INN)— chebi
- carfecilline (INN)— chebi
- carfecillinum (INN)— chebi
- 2,2-dimethyl-6β-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]penam-3α-carboxylic acid (EXACT_SYNONYM)— chebi
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (EXACT_SYNONYM)— chebi
- 6-(2-Phenoxycarbonyl-2-phenylacetamido)penicillansäure (EXACT_SYNONYM)— chebi
- Carbenicillin phenyl (EXACT_SYNONYM)— chebi
- Carfecillin (EXACT_SYNONYM)— chebi
- carbenicillin phenyl ester (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
Source concepts
Every upstream concept that resolved to this record. The merge is
the product: this is what shows ChEBI and CARD are describing the same structure.
Upstream concepts merged into this record
| Source | Native ID | Label | Minted CURIE | Version |
|---|
| CHEBI |
CHEBI:3414 |
carfecillin |
antibioticmech:chebi-f1c0829570 |
2026-08-30 |
Curation history
-
SEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.