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Basic information
- CAS
187870-78-6- Standard SMILES
Cc1cc(S(C)(=O)=O)c(S(C)(=O)=O)cc1C(=O)N=C(N)N- InChIKey
GROMEQPXDKRRIE-UHFFFAOYSA-N- Molecular formula
- C11H15N3O5S2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.04531258
Overview
Rimeporide has been used in trials studying the treatment of Muscular Dystrophy, Duchenne.
Names & identifiers
- Preferred name
- N-(2-Methyl-4,5-bis(methylsulfonyl)benzoyl)guanidine
- IUPAC
- N-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide
- English name
- Rimeporide
- Molecular formula
- C11H15N3O5S2
- Molecular weight
- 333.38
Names & synonyms
EMD-87580N-(2-methyl-4,5-bis(methylsulfonyl)benzoyl)guanidine438469-51-3EMD87580RefChem:926709Rimeporide187870-78-6N-carbamimidoyl-2-methyl-4,5-bis(methylsulfonyl)benzamideRimeporide [INN]Rimeporide free baseRimeporidaN-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide
Show more names
Rimeporide (EMD-87580)EMD-87580 >=98% (HPLC)Rimeporide, 10 mM in DMSOBenzamide, N-(aminoiminomethyl)-2-methyl-4,5-bis(methylsulfonyl)-Inhibitor,EMD87580,Sodium-hydrogen Exchanger,Sodium/hydrogen Exchanger,Rimeporide,inhibit,EMD 87580,Na+/H+ Exchanger (NHE)
QH6B4V5743AKOS037515659N-(Aminoiminomethyl)-2-methyl-4,5-bis(methylsulfonyl)benzamideD80911N-diaminomethylene-2-methyl-4,5-di(methylsulfonyl)benzamideN-(Aminoiminomethyl)-4,5-bis(methanesulfonyl)-2-methylbenzamideUNII-QH6B4V5743N-(4,5-bismeth
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 638
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 20 mg/mL · DMSO : 20 mg/mL (59.99 mM)
- form
- powder
- pka
- 10.5 · 10.50±0.46(Predicted)
- color
- white to beige
- InChI
- 1S/C11H15N3O5S2/c1-6-4-8(20(2,16)17)9(21(3,18)19)5-7(6)10(15)14-11(12)13/h4-5H,1-3H3,(H4,12,13,14,15)
- InChIKey
- GROMEQPXDKRRIE-UHFFFAOYSA-N
- SMILES
- NC(NC(C1=CC(S(=O)(C)=O)=C(S(=O)(C)=O)C=C1C)=O)=N
- FDA UNII
- 6 B4V5743 · QH6B4V5743
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
UsesEMD-87580 has been used as a selective and potent sodium-hydrogen antiporter 1 (NHE-1) inhibitor in cardiac ventricular myocytes to test its effect on the hypertrophic response.
Suppliers27 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
Related reactions
9 records
Compound notes
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