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Merck
CN

B1935

Butorphan S(+)-mandelate

≥98% (HPLC), solid

Synonym(s):

(−)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-mandelate, MCL-101 Mandelate

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About This Item

Empirical Formula (Hill Notation):
C21H29NO · C8H8O3
Molecular Weight:
463.61
PubChem Substance ID:
329773199
UNSPSC Code:
12352202

Key Documents

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InChI

1S/C21H29NO.C8H8O3/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15;9-7(8(10)11)6-4-2-1-3-5-6/h7-8,13,15,18,20,23H,1-6,9-12,14H2;1-5,7,9H,(H,10,11)/t18?,20-,21-;7-/m10/s1

InChI key

CBWUCCIELNNDND-QADVRDRQSA-N

SMILES string

O[C@H](C(O)=O)c1ccccc1.Oc2ccc3C[C@@H]4C5CCCC[C@]5(CCN4CC6CCC6)c3c2

assay

≥98% (HPLC)

form

solid

color

light yellow

solubility

DMSO: ~5 mg/mL

originator

Bristol-Myers Squibb

Biochem/physiol Actions

κ/μ opioid receptor agonist.

Features and Benefits

This compound was developed by Bristol-Myers Squibb. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

hcodes

H302,H410

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
014K4701

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J L Neumeyer et al.
Journal of medicinal chemistry, 43(1), 114-122 (2000-01-14)
This report concerns the synthesis and preliminary pharmacological evaluation of a novel series of kappa agonists related to the morphinan (-)-cyclorphan (3a) and the benzomorphan (-)-cyclazocine (2) as potential agents for the pharmacotherapy of cocaine abuse. Recent evidence suggests that

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