sulfociprofloxacin

CHEBI:192798 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

An organosulfonic acid that is ciprofloxacin carrying a sulfo group at position 4 of the piperazine ring. It is a metabolite of ciprofloxacin. — ChEBI

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.

CHEBI:23765 CHEBI:23765
CHEBI:26512 CHEBI:26512
CHEBI:33551 CHEBI:33551
CHEBI:46848 CHEBI:46848
CHEBI:51454 CHEBI:51454
CHEBI:86324 CHEBI:86324
CHEBI:87211 CHEBI:87211

Chemical structure

Computed structure properties
Molecular formula	C17H18FN3O6S
Charge	0
Average mass	411.411 Da
Monoisotopic mass	411.09003 Da
Source	ChEBI
InChIKey	SDLYZOYQWKDWJG-UHFFFAOYSA-N

SMILES

O=C(O)c1cn(C2CC2)c2cc(N3CCN(S(=O)(=O)O)CC3)c(F)cc2c1=O

InChI

InChI=1S/C17H18FN3O6S/c18-13-7-11-14(21(10-1-2-10)9-12(16(11)22)17(23)24)8-15(13)19-3-5-20(6-4-19)28(25,26)27/h7-10H,1-6H2,(H,23,24)(H,25,26,27)

Also called

1-cyclopropyl-6-fluoro-4-oxo-7-(4-sulfopiperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid (EXACT_SYNONYM)— chebi
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-sulfopiperazino)-3-quinolinecarboxylic acid (EXACT_SYNONYM)— chebi
BAY-s-9435 (EXACT_SYNONYM)— chebi
Bay s 9435 (EXACT_SYNONYM)— chebi
Bay-s 9435 (EXACT_SYNONYM)— chebi
ciprofloxacin piperazinyl-N4-sulfate (EXACT_SYNONYM)— chebi
sulfo-ciprofloxacin (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:105093-21-8
hmdb:HMDB0242136

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:33281 CHEBI:33281

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:192798`	sulfociprofloxacin	`antibioticmech:chebi-ada070c241`	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.