81409-92-9
N-(3-(DIMETHYLAMINO)PROPYL)-N-((ETHYLAMINO)CARBONYL)-6-N-PROPYLERGOLINE-8-BETA-CARBOXAMIDE
NameN-(3-(DIMETHYLAMINO)PROPYL)-N-((ETHYLAMINO)CARBONYL)-6-N-PROPYLERGOLINE-8-BETA-CARBOXAMIDE
1Identification
【Name】
N-(3-(DIMETHYLAMINO)PROPYL)-N-((ETHYLAMINO)CARBONYL)-6-N-PROPYLERGOLINE-8-BETA-CARBOXAMIDE
【CAS】
【MDL】
MFCD01729266
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H39 N5 O2
【pro_molWeight】
453.627
【Inchi】
InChI=1S/C26H39N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h7,9-10,16,19,21,23,28H,5-6,8,11-15,17H2,1-4H3,(H,27,33)/t19-,21-,23-/m1/s1
【InChIKey】
InChIKey=HHPNSRKMOPOTKB-KJXAQDMKSA-N
【SMILES】
CCCN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N(CCCN(C)C)C(=O)NCC
【MOL File】
N-(3-(DIMETHYLAMINO)….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(3-(DIMETHYLAMINO)PROPYL)-N-((ETHYLAMINO)CARBONYL)-6-N-PROPYLERGOLINE-8-BETA-CARBOXAMIDE.cml