Catalog Number:
AG01BVEE
Chemical Name:
rac-(3R,4S)-1-benzyl-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid dihydrochloride, trans
CAS Number:
2044705-72-6
Molecular Formula:
C16H21Cl2N3O2
Molecular Weight:
358.2628
MDL Number:
MFCD29764254
IUPAC Name:
(3S,4R)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C16H19N3O2.2ClH/c1-18-9-13(7-17-18)14-10-19(11-15(14)16(20)21)8-12-5-3-2-4-6-12;;/h2-7,9,14-15H,8,10-11H2,1H3,(H,20,21);2*1H/t14-,15+;;/m0../s1
InChI Key:
NYYUUMGNUMYBRD-FZMMWMHASA-N
SMILES:
Cn1ncc(c1)[C@@H]1CN(C[C@H]1C(=O)O)Cc1ccccc1.Cl.Cl
