Almitrine-raubasine

6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine;methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

Also Known As: almitrine-raubasine|Duxil|Almitrine - raubasine|Almitrine mixture with raubasine|SE 5023|Almitrine, raubasine drug combination|SE-5023|6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine;methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate|Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19alpha)-, mixt. with 6-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-1,3,5-triazine-2,4-diamine|Methyl 19alpha-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate--6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-N~2~,N~4~-di(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine (1/1)

Molecular Formula	C47H53F2N9O3
Molecular Weight	829.42395 g/mol
LogP	7.436
Topological Polar Surface Area	123.77 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	11
Exact Mass	829.42395
Monoisotopic Mass	829.42395
Heavy Atoms	61
Complexity	2285.9282

Chemical Identifiers

CAS Number	76997-30-3
SMILES	C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45.C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C