Tirilazad monomethanesulfonate monohydrate

Molecular Formula: C₃₈H₅₂N₆O₂

InChI: InChI=1/C38H52N6O2/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/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3/t26-,29-,31u,35-,37+,38+/m1/s1

InChIKey: InChIKey=RBKASMJPSJDQKY-WOYLECCNBO
SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6)N7CCCC7)N8CCCC8)C)C

Names:
    Tirilazad monomethanesulfonate monohydrate
    (8S,10R,13S,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
    110101-67-2
    111793-42-1
    21-(4-(2,6-DI-1-PYRROLIDINYL-4-PYRIMIDINYL)-1-PIPERAZINYL)-16A-METHYL-PREGNA- 1,

Registries:
    PubChem CID 60516
    PubChem ID 196803