74627-30-8
ALPHA-CYANO-6-METHYL-N-PHENYLERGOLINE-8-BETA-PROPANAMIDE
NameALPHA-CYANO-6-METHYL-N-PHENYLERGOLINE-8-BETA-PROPANAMIDE
1Identification
【Name】
ALPHA-CYANO-6-METHYL-N-PHENYLERGOLINE-8-BETA-PROPANAMIDE
【CAS】
【MDL】
MFCD01729236
【English Synonyms】
【Formula】
C25 H26 N4 O
【MolWeight】
398.507
【Inchi】
InChI=1S/C25H26N4O/c1-29-15-16(10-17(13-26)25(30)28-19-6-3-2-4-7-19)11-21-20-8-5-9-22-24(20)18(14-27-22)12-23(21)29/h2-9,14,16-17,21,23,27H,10-12,15H2,1H3,(H,28,30)/t16-,17?,21-,23-/m1/s1
【InChIKey】
InChIKey=AYRDUEDQHCHKII-VMXKFYLWSA-N
【SMILES】
CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)CC(C#N)C(=O)Nc5ccccc5
【MOL File】
ALPHA-CYANO-6-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA-CYANO-6-METHYL-N-PHENYLERGOLINE-8-BETA-PROPANAMIDE.cml