Sulfamidopyrine

HCID 19145
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
117-38-4
Standard SMILES
Cc1c(NCS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C
InChIKey
VRESBCAKEFFDQB-UHFFFAOYSA-N
Molecular formula
C12H15N3O4S
Average molar mass
297.33 g/mol
Monoisotopic mass
297.07832696

Names & identifiers

Preferred name
Sulfamidopyrine
IUPAC
[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonic acid
English name
[(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]methanesulfonic acid
Molecular formula
C12H15N3O4S
Molecular weight
297.33

Names & synonyms

Sulfamidopyrine117-38-4((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methanesulfonic acid(Antipyrinylamino)methanesulfonic acidSULFAMPYRINEMethanesulfonic acid, (antipyrinylamino)-Metamizole impurity E [USP-MC]Sulfamidopyrine [WHO-DD]727Q94151QDTXSID001017066[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methanesulfonic acidMethanesulfonic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)-
Show more names
4-N-DesmethylmetamizoleMinocycline EP Impurity EMETAMIZOLE EP IMP EMetamizole sodium EP Impurity EMetamizole EP Impurity E Dipirone Impurity EMetamizole Sodium Impurity 5（Minocycline EP Impurity E）Metamizole Sodium Impurity 5（Metamizole Sodium EP Impurity E）[(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]methanesulfonic acidMethanesulfonic acid, 1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methanesulfonic acid (Metamizole Impurity)
Methanesulfonic acid, 1-((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)-4-N-DESMETHYLMETAMIZOLE [EP IMPURITY]Metamizole impurity E (USP-MC)METAMIZOLE SODIUM MONOHYDRATE IMPURITY E [EP IMPURITY]4-N-DESMETHYLMETAMIZOLE (EP IMPURITY)METAMIZOLE SODIUM MONOHYDRATE IMPURITY E (EP IMPURITY)RefChem:889522DTXCID40912416

Database identifiers

CAS
117-38-4
PubChem CID
19145
DTXSID
DTXSID001017066
ChEMBL
CHEMBL6069590
UNII
727Q94151Q
EC Number
809-878-7
Nikkaji
J49.702I

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
98.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
20

Physicochemical properties

Density
1.5 · 1.50±0.1 g/cm3(Predicted)
pka
1.19 · 1.19±0.50(Predicted)
InChI
InChI=1S/C12H15N3O4S/c1-9-11(13-8-20(17,18)19)12(16)15(14(9)2)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3,(H,17,18,19)
InChIKey
VRESBCAKEFFDQB-UHFFFAOYSA-N
SMILES
C(NC1=C(C)N(C)N(C2=CC=CC=C2)C1=O)S(O)(=O)=O
FDA UNII
727 Q94151Q · 727Q94151Q

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS08,GHS07
Hazard statements
H302-H312-H332
Precautionary statements
P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501

Chemistry & industry

Suppliers22 total

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…