478-94-4
9,10-DIDEHYDRO-6-METHYLERGOLINE-8BETA-CARBOXAMIDE
Name9,10-DIDEHYDRO-6-METHYLERGOLINE-8BETA-CARBOXAMIDE
1Identification
【Name】
9,10-DIDEHYDRO-6-METHYLERGOLINE-8BETA-CARBOXAMIDE
【CAS】
【MDL】
MFCD01716210
【English Synonyms】
【Formula】
C16 H17 N3 O
【MolWeight】
267.33
【Inchi】
InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/t10-,14-/m1/s1
【InChIKey】
InChIKey=GENAHGKEFJLNJB-QMTHXVAHSA-N
【SMILES】
CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N
【MOL File】
9,10-DIDEHYDRO-6-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9,10-DIDEHYDRO-6-METHYLERGOLINE-8BETA-CARBOXAMIDE.cml