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Tirilazad mesylate

CAT: 0931-T28978-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T28978-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110101-67-2
Target
Antiviral, Antibiotic
Related Pathways
Immunology/Inflammation, Microbiology/Virology
Purity
>99.99%
Bioactivity
Tirilazad mesylate (U 74006F) is a non-glucocorticoid, lipid peroxidation inhibitor with antiviral and neuroprotective activities. It confines intracellular intramembranous foci, attenuates spinal cord injuries induced by trauma, stroke, and ischemia/reperfusion injuries, inhibits toxins in dogs, and is used in the study of neurological disorders.
Smiles
S(C)(=O)(=O)O.C[C@@]12[C@]([C@]3(C([C@]4(C)C(CC3)=CC(=O)C=C4)=CC1)[H])(C[C@@H](C)[C@@H]2C(CN5CCN(CC5)C=6C=C(N=C(N6)N7CCCC7)N8CCCC8)=O)[H]
Molecular Formula
C39H56N6O5S
Molecular Weight
720.96
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tirilazad Mesylate

Tirilazad mesylate is a corticosteroid hormone.

CAS Number110101-67-2
PubChem CID104902
IUPAC Name(8S,10S,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one;methanesulfonic acid
Molecular FormulaC39H56N6O5S
Molecular Weight721.0
Topological Polar Surface Area136
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count51
Formal Charge0
Complexity1380
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@H]1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6)N7CCCC7)N8CCCC8)C)C.CS(=O)(=O)O
InChI
InChI=1S/C38H52N6O2.CH4O3S/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44;1-5(2,3)4/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3;1H3,(H,2,3,4)/t26-,29-,31+,35-,37+,38+;/m1./s1
InChIKey
HPZOOQSXPMEJBV-ODCFVKFUSA-N
Chemical Structure
2D Structure
2D structure of Tirilazad Mesylate
CAS: 110101-67-2
CID: 104902
Formula: C39H56N6O5S
MW: 721.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight721.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass720.40329008
Monoisotopic Mass720.40329008
Topological Polar Surface Area136 Ų
Heavy Atom Count51
Formal Charge0
Complexity1380
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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