Basic information
- CAS
159138-81-5- Standard SMILES
CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O.CS(=O)(=O)O- InChIKey
FNDLQABGYJQJPH-UHFFFAOYSA-N- Molecular formula
- C13H21N3O6S2
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.08717775
Overview
See also: Cariporide (has active moiety).
Names & identifiers
- Preferred name
- Cariporide Mesylate
- IUPAC
- N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide;methanesulfonic acid
- English name
- Benzamide,N-(aminoiminomethyl)-4-(1- methylethyl)-3-(methylsulfonyl)-,monomethanesulfonate
- Molecular formula
- C13H21N3O6S2
- Molecular weight
- 0
Names & synonyms
Cariporide mesylate159138-81-5Cariporide mesilateHOE 642Cariporide mesylate [USAN]DTXSID3047344Cariporide methanesulfonateHoe-642UNII-0543W2JFRZ0543W2JFRZCariporide mesylate (USAN)DTXCID1027344
Show more names
Cariporide Mesylate saltFNDLQABGYJQJPH-UHFFFAOYSA-NHOE 642 cariporide mesilateN-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-yl-benzamide(4-isopropyl-3-methanesulfonyl-benzoyl) guanidine methanesulfonateN- (Diaminomethylene)- 4- isopropyl- 3- (methylsulfonyl)- benzamideN-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide methanesulfonic acid
CARIPORIDE MESILATE [WHO-DD]CARIPORIDE METHANESULFONATE [MI]Benzamide, N-(aminoiminomethyl)-4-(1-methylethyl)-3-(methylsulfonyl)-, monomethanesulfonateN-(Diaminomethylene)-4-isopropyl-3-(methylsulfonyl)benzamide monomethanesulfonateN-(4-ISOPROPYL-3-METHANESULFONYL-BENZOYL)-GUANIDINE MESILATEN-(4-ISOPROPYL-3-METHANESULFONYL-BENZOYL)-GUANIDINE MESYLATEN-(DIAMINOMETHYLENE)-4-ISOPROPYL-3-(METHYLSULPHONYL)BENZAMIDE MONOMETHANESULPHONATEBENZAMIDE, N-(AMINOIMINOMETHYL)-4-(1-METHYLETHYL)-3-(METHYLSULPHONYL)-, MONOMETHANESULPHONATE
Properties
Computed structural properties
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- Melting point
- 227 · 227-230°
- FDA UNII
- 543 W2JFRZ · 0543W2JFRZ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
H317 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1B (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
UsesReduction of death and nonfatal myocardial infarction in patients undergoing CABG surgery.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
上海伯韵医药科技有限公司13817873692 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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