(2S)-Hydroxy(Phenyl)Acetic Acid - (1R,2R)-2-[(Dimethylamino)Methyl]-1-(3-Methoxyphenyl)Cyclohexanol (1:1)
[CAS# 280565-80-2]

Identification

• Name: (2S)-Hydroxy(Phenyl)Acetic Acid - (1R,2R)-2-[(Dimethylamino)Methyl]-1-(3-Methoxyphenyl)Cyclohexanol (1:1)
• Synonyms: (+)-cis-Tramadol (S)-(+)-mandelate; MFCD08752538
• Molecular Formula: C₂₄H₃₃NO₅
• Molecular Weight: 415.52
• CAS Registry Number: 280565-80-2
• SMILES: CN(C)C[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O.c1ccc(cc1)[C@@H](C(=O)O)O
• InChI: 1S/C16H25NO2.C8H8O3/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;9-7(8(10)11)6-4-2-1-3-5-6/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1-5,7,9H,(H,10,11)/t14-,16+;7-/m10/s1
• InChIKey: KXSHEWVOCXRQCD-YBQMNXDXSA-N

Properties

• Refractive index: (Cal.)

Safety Data

• Safety Description: IRRITANT