cefotiam hexetil dihydrochloride

CHEBI:31373 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

The dihydrochloride salt of cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester. It is used as a prodrug for cefotiam. — 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:36807 CHEBI:36807

Chemical structure

Computed structure properties
Molecular formula	C27H37N9O7S3.2HCl
Charge	0
Average mass	768.772 Da
Monoisotopic mass	767.15116 Da
Source	ChEBI
InChIKey	FFSANQNELHESQJ-LWBICVDYSA-N

SMILES

Cl.Cl.[H][C@]12SCC(CSc3nnnn3CCN(C)C)=C(C(=O)OC(C)OC(=O)OC3CCCCC3)N1C(=O)[C@@]2([H])NC(=O)Cc1csc(N)n1

InChI

InChI=1S/C27H37N9O7S3.2ClH/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37)11-17-14-45-25(28)29-17;;/h14-15,18,20,23H,4-13H2,1-3H3,(H2,28,29)(H,30,37);2*1H/t15?,20-,23-;;/m1../s1

Also called

1-{[(cyclohexyloxy)carbonyl]oxy}ethyl (6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride (EXACT_SYNONYM)— chebi
1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 7β-(2-amino-1,3-thiazol-4-yl)acetamido-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-3,4-didehydrocepham-4-carboxylate dihydrochloride (EXACT_SYNONYM)— chebi
cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester dihydrochloride (EXACT_SYNONYM)— chebi
cefotiam hexetil HCl (EXACT_SYNONYM)— chebi
cefotiam hexetil hydrochloride (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.

CHEBI:36047 CHEBI:36047

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:31373`	cefotiam hexetil dihydrochloride	`antibioticmech:chebi-0005527e3d`	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.