Succinylsulfathiazole

HCID 5315CAS 116-43-8

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Basic information

Standard SMILES: O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIKey: SKVLYVHULOWXTD-UHFFFAOYSA-N
Molecular formula: C13H13N3O5S2
Average molar mass: 355.4 g/mol
Monoisotopic mass: 355.02966252

Overview

N-succinylsulfathiazole is a member of 1,3-thiazoles. It is functionally related to a sulfathiazole.

Names & identifiers

Preferred name: Succinylsulfathiazole
IUPAC: 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid
English name: Succinylsulfathiazole
Molecular formula: C13H13N3O5S2
Molecular weight: 355.39

Names & synonyms

succinylsulfathiazole116-43-8ColistatinSulfasuxidineCremosuxidineSulfadigesinSulfasuccidineKaoxidinSulfasuccithiazoleKaoxidineThiacylSuccinylsulphathiazole

Show more names

SSTSMSTrolsulSULFENTERONESST-PB3M-CPX

4'-(2-Thiazolylsulfamoyl)succinanilic acidSuccinilsulfatiazolSuccinylsulfathiazolSuccinyl sulfathiazoleSuccinylsulfathiazolumDTXSID7045281NSC-14193NSC-163939

Database identifiers

CAS: 116-43-8
PubChem CID: 5315
DTXSID: DTXSID7045281
ChEMBL: CHEMBL1484857
ChEBI: CHEBI:9309
UNII: RSS8647O4S
EC Number: 204-141-0
Nikkaji: J5.280I

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 162 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 526

Experimental & physicochemical properties

DrugsPharmaceuticals -> Antibiotics

Solubility51.4 [ug/mL] (The mean of the results at pH 7.4)

Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan

Collision Cross Section · 2 items

183.88 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

182.4 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Melting point: 193.5 °C · 193.5°C
Density: 1.4807 · 1.4807 (rough estimate)
refractive index: 1.639 · 1.6390 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: 1 M · 1 M NaOH: soluble50mg/mL
pka: 4.5 · pKa 4.5 (Uncertain)
form: powder
color: white to off-white
Water Solubility: 0.49 g/L · 0.49g/L(38 ºC)
λmax: 282 nm · 282nm(H2O (pH 3.3 - 5))(lit.)
Merck: 14 · 14,8877
BRN: 349989 · 349989
CAS DataBase Reference: 116 · 116-43-8(CAS DataBase Reference)
FDA UNII: 8647 O4S · RSS8647O4S
ATC code: 7 AB04 · A07AB04
EPA Substance Registry System: 4 · Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]- (116-43-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317
Precautionary statements: 280 · P280
Hazard Codes: Xn
Risk Statements: 42 · 42/43
Safety Statements: 22 · 22-36/37-45
RIDADR: 3249 · 3249
WGK Germany: 3 · 3
RTECS: 4767000 · WM4767000
HazardClass: 6.1 · 6.1(b)
PackingGroup: III
HS Code: 29350090 · 29350090

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.

Warning

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Other Safety InformationIMAP assessments - Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-: Environment tier I assessment

Hazard Classes and CategoriesSkin Sens. 1 (97.6%)

Safety data

wgk: 3
rtecs: WM4767000
ridadr: 3249
hs_code: 29350090
risk_code: 42/43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 22-36/37-45
hazard_class: 6.1(b)
packing_group: III
Hazard statements: H317
Precautionary statements: P280

Chemistry & industry

Pharmacology

ATC Code · 2 items

A - Alimentary tract and metabolism

QA - Alimentary tract and metabolism

Uses & manufacturing

Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan

Applications · 3 items

UsesSuccinylsulfathiazole is a sulfonamide antibiotic that was shown to inhibit bacteria that are responsible for folate production. Succinylsulfathiazole was used in various folate deficiency studies to block the synthesis of folic acid.

UsesSuccinylsulfathiazole is antibacterial

DescriptionSomatostatin Synthetic is a single, non-glycosylated polypeptide chain containing 14 amino acids, having a molecular mass of 1637.9 Dalton and a Molecular formula of C76H104N18O19S2. The CAS# is 38916-34-6.