Basic information
- CAS
515-64-0- Standard SMILES
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1- InChIKey
YZMCKZRAOLZXAZ-UHFFFAOYSA-N- Molecular formula
- C12H14N4O2S
- Average molar mass
- 278.33 g/mol
- Monoisotopic mass
- 278.08374688
Overview
Sulfisomidine is a sulfonamide consisting of pyrimidine having methyl substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. It has a role as an antiinfective agent. It is a sulfonamide, a member of pyrimidines and a sulfonamide antibiotic. It is functionally related to a sulfanilamide.
Names & identifiers
- Preferred name
- Sulfisomidine
- IUPAC
- 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide
- English name
- SULFISOMIDINE
- Molecular formula
- C12H14N4O2S
- Molecular weight
- 278.33
Names & synonyms
SULFISOMIDINE515-64-0SulfaisodimidineSulphasomidineSulfasomidine4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamideSolfisomidinaSulfaisodimidinumSulfisomidinaSulfisomidinum4-Sulfa-2,6-dimethylpyrimidine2,6-Dimethyl-4-sulfanilamidopyrimidine
Show more names
SULFISOMIDINSulfadimetineDomianeryconElcosinElkosilElkosinMefenalElcosine
2,4-Dimethyl-6-sulfanilamidopyrimidine4-Sulfanilamido-2,6-dimethylpyrimidine6-Sulfanilamido-2,4-dimethylpyrimidine6-(p-Aminobenzenesulfonamido)-2,4-dimethylpyrimidine6-(4-Aminobenzenesulfonamido)-2,4-dimethylpyrimidine6-(p-Aminobenzenesulfonyl)amino-2,4-dimethylpyrimidineDTXSID1046390CHEBI:32166
Database identifiers
- CAS
515-64-0- PubChem CID
- 5343
- DTXSID
DTXSID1046390
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
SpringerMaterials PropertiesFusion temperature
LogP-0.03
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Collision Cross Section179 Ų [M+Na]+
Physicochemical properties
- Melting point
- 245 °C · 245°C
- Boiling point
- 294 °C · 294°C (rough estimate)
- Density
- 1.2997 · 1.2997 (rough estimate)
- refractive index
- 1.644 · 1.6440 (estimate)
- storage temp.
- 0 · 0-6°C
- solubility
- Acetonitrile (Slightly), DMSO (Slightly)
- pka
- 7.25 · pKa 7.25 (Uncertain)
- form
- Solid
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
This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Safety data
- wgk
- 2
- rtecs
- WO9270000
- ridadr
- 3249
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
ATC CodeJ - Antiinfectives for systemic use
MeSH Pharmacological ClassificationSubstances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Uses & manufacturing
Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Applications
UsesSulfisomidine is a sulfanilamide antibacterial agent.
Upstream & downstream products
Upstream raw materials
Suppliers82 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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