CEP-11981 tosylate
4-methylbenzenesulfonic acid;19-methyl-3-(2-methylpropyl)-7-(pyrimidin-2-ylamino)-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one
Molecular Identity
CEP-11981 tosylate
4-methylbenzenesulfonic acid;19-methyl-3-(2-methylpropyl)-7-(pyrimidin-2-ylamino)-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one
PubChem CID: 46196540
2D Structure
Properties
C35H35N7O4S
Molecular Formula
649.80
Molecular Weight
g/mol
649.2471
Exact Mass
Da
152
TPSA
May have limited oral absorption
3
H-Bond Donors
8
H-Bond Acceptors
1040
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CN1C2=C(C=C(C=C2)NC3=NC=CC=N3)C4=C1C5=C(C6=CN(N=C6CC5)C)C7=C4CNC7=OIsomeric SMILES
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CN1C2=C(C=C(C=C2)NC3=NC=CC=N3)C4=C1C5=C(C6=CN(N=C6CC5)C)C7=C4CNC7=OSynonyms(16)
CEP-11981 tosylateYK5DTP8NHUUNII-YK5DTP8NHU901128-79-8ESK981RefChem:200108BOL 303213X tosylateBOL-303213X tosylateCEP-11981 (tosylate)4H-Indazolo(5,4-a)pyrrolo(3,4-C)carbazol-4-one, 2,5,6,11,12,13-hexahydro-2-methyl-11-(2-methylpropyl)-8-(2-pyrimidinylamino)-, 4-methylbenzenesulfonate (1:1)orb2566644EX-A7844AHY-16135ACS-0905098T86039
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to CEP-11981 tosylate
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