Tirilazad Mesylate

(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

Also Known As: Tirilazad mesylate|Freedox|Tirilazad|Tirilazad mesilate|Freedox (TN)|Tirilazad (mesylate)|Tiralazad mesilate hydrate|Tiralazad mesylate hydrate|Tirilazad mesylate hydrate|Tirilazad mesilate (JAN)|[14C]-Tirilazad mesylate|TIRILAZAD MESILATE ANHYDROUS|TIRILAZAD MESYLATE ANHYDROUS|PNU 74006F|TIRILAZAD MESILATE [JAN]|U-74006F|U 74006F|110101-67-2 (mesylate)|AN-5718|TIRILAZAD METHANESULFONATE MONOHYDRATE|(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|(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|21-(4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)-16-methylpregna-1,4,9(11)-triene-3,20-dione monomethane sulfonate|21-(4-(2,6-di-1-Pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)-16-methylpregna-1,4,9(11)-triene-3,20-dione monomethanesulfonate|(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 Formula	C39H56N6O5S
Molecular Weight	720.4033 g/mol
LogP	4.96
Topological Polar Surface Area	127.25 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	6
Exact Mass	720.4033
Heavy Atoms	51
Complexity	1680.0

Chemical Identifiers

CAS Number	110101-67-2
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