Products for Research Use Only
RegisterLogin

IS-741 sodium monohydrate

CAT: 0931-T69386-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T69386-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
351999-87-6
Target
Others
Related Pathways
Others
Bioactivity
IS-741 sodium monohydrate is a phospholipase A2 inhibitor.
Smiles
O=C(C1CCCCC1)NC2=C(N=CC(C(F)(F)F)=C2)[N-]S(CC)(=O)=O.[Na+].O
Molecular Formula
C15H21F3N3NaO4S
Molecular Weight
419.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

IS-741 sodium monohydrate
CAS Number351999-87-6
PubChem CID117587637
IUPAC Namesodium;[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)-2-pyridinyl]-ethylsulfonylazanide;hydrate
Molecular FormulaC15H21F3N3NaO4S
Molecular Weight419.4
Topological Polar Surface Area86.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity563
SMILES
CCS(=O)(=O)[N-]C1=C(C=C(C=N1)C(F)(F)F)NC(=O)C2CCCCC2.O.[Na+]
InChI
InChI=1S/C15H20F3N3O3S.Na.H2O/c1-2-25(23,24)21-13-12(8-11(9-19-13)15(16,17)18)20-14(22)10-6-4-3-5-7-10;;/h8-10H,2-7H2,1H3,(H2,19,20,21,22);;1H2/q;+1;/p-1
InChIKey
QBUPAAMUKRHOPD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of IS-741 sodium monohydrate
CAS: 351999-87-6
CID: 117587637
Formula: C15H21F3N3NaO4S
MW: 419.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass419.11025610
Monoisotopic Mass419.11025610
Topological Polar Surface Area86.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
T1312Nafcillin sodium monohydrate
T6622-01Oxacillin sodium monohydrate
T3286-01Sodium picosulfate monohydrate
T0087Sulfacetamide sodium monohydrate
T6539-01Ibandronate sodium monohydrate
T1031-01Cloxacillin sodium monohydrate
T86463-01Fluvastatin sodium monohydrate
T4914-01Mesoxalate sodium (monohydrate)
TSH-00443-01Sodium 1-hexanesulfonate monohydrate
T71533-01NCS-356 sodium monohydrate

Alternative Products

CatalogName
MBS5811935IS-741 sodium monohydrate
SB7834Sodium bisulfate, monohydrate
FD47400-01Sodium deoxycholate monohydrate
FD32744-01Metamizol sodium monohydrate
FS167818-01Sodium taurodeoxycholate monohydrate
466348-01Sodium Trichloromethanesulfonate Monohydrate
257359-01Nafcillin sodium monohydrate
289329Sulfaclozine Sodium Monohydrate
MBS3841639-01Amfenac Sodium Monohydrate
MBS3605715-01Cloxacillin sodium monohydrate

Popular Products