Basic information
- CAS
547-44-4- Standard SMILES
NC(=O)NS(=O)(=O)c1ccc(N)cc1- InChIKey
WVAKABMNNSMCDK-UHFFFAOYSA-N- Molecular formula
- C7H9N3O3S
- Average molar mass
- 215.23 g/mol
- Monoisotopic mass
- 215.03646233
Overview
Sulfacarbamide is a member of benzenes and a sulfonamide.
Names & identifiers
- Preferred name
- Sulfacarbamide
- IUPAC
- (4-aminophenyl)sulfonylurea
- English name
- Sulfacarbamide
- Molecular formula
- C7H9N3O3S
- Molecular weight
- 215.23
Names & synonyms
Sulfacarbamide547-44-4SULFANILYLUREASulfaureaUrosulfanSulphaureaEuvernilUractylUramidUrenilSolfacarbamideSulfacarbamida
Show more names
a435A 435NSC 78438
SulfacarbamidumUrosulphanumN-sulfanilylcarbamide4-Amino-N-(aminocarbonyl)benzenesulfonamideDTXSID1046425W6CD25Z4QRNSC-78438DTXCID9026425
Database identifiers
- CAS
547-44-4- PubChem CID
- 11033
- DTXSID
DTXSID1046425- ChEMBL
CHEMBL139877- ChEBI
CHEBI:134891- UNII
- W6CD25Z4QR
- EC Number
- 208-922-7
- Nikkaji
- J9.413G
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP-0.29
Physicochemical properties
- Melting point
- 146 · 146-148° (slight dec)
- Density
- 1.4565 · 1.4565 (rough estimate)
- refractive index
- 1.663 · 1.6630 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- 28 mg/mL · DMSO : ≥ 28 mg/mL (130.09 mM)
- form
- Solid
- pka
- 1.78 · pKa 1.78(H2O t = 25 I = 0.05) (Uncertain);5.42(H2O t = 25 I = 0.05) (Uncertain)
- color
- White to off-white
- Water Solubility
- 2.333 g/L · 2.333g/L(20 ºC)
- InChI
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Sulfacarbamide
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H302
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
DescriptionSulfacarbamide is a blood sugar-lowering drug, also acting on the vegetative nervous system.
UsesSulfacarbamide-d4 is the labeled analogue of Sulfacarbamide (S688945), an antibiotic which is rapidly absorbed in blister fluid.
Usesantibacterial
Upstream & downstream products
Upstream raw materials
Suppliers46 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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