81396-93-2
6-METHYL-N-(1-METHYLETHYL)-N-(((1-METHYLETHYL)AMINO)CARBONYL)ERGOLINE-8-CARBOXAMIDE
Name6-METHYL-N-(1-METHYLETHYL)-N-(((1-METHYLETHYL)AMINO)CARBONYL)ERGOLINE-8-CARBOXAMIDE
1Identification
【Name】
6-METHYL-N-(1-METHYLETHYL)-N-(((1-METHYLETHYL)AMINO)CARBONYL)ERGOLINE-8-CARBOXAMIDE
【CAS】
【MDL】
MFCD01729275
【English Synonyms】
【Formula】
C23 H32 N4 O2
【MolWeight】
396.532
【Inchi】
InChI=1S/C23H32N4O2/c1-13(2)25-23(29)27(14(3)4)22(28)16-9-18-17-7-6-8-19-21(17)15(11-24-19)10-20(18)26(5)12-16/h6-8,11,13-14,16,18,20,24H,9-10,12H2,1-5H3,(H,25,29)/t16-,18-,20-/m1/s1
【InChIKey】
InChIKey=IDZYIMDAPAFQJX-YVWKXTFCSA-N
【SMILES】
CC(C)NC(=O)N(C(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)C
【MOL File】
6-METHYL-N-(1-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-METHYL-N-(1-METHYLETHYL)-N-(((1-METHYLETHYL)AMINO)CARBONYL)ERGOLINE-8-CARBOXAMIDE.cml