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Substance Name: Mandelic acid, alpha-cyclopropyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester, hydrochloride
RN: 101710-93-4
InChIKey: VNKAUVLRVFHBCJ-UHFFFAOYSA-N
Molecular Formula
- C18-H23-N-O3.Cl-H
Molecular Weight
- 337.845
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Names and Synonyms
Synonym
- alpha-Cyclopropylmandelic acid (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester HCl
Systematic Name
- Mandelic acid, alpha-cyclopropyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester, hydrochloride
Registry Numbers
CAS Registry Number
- 101710-93-4
System Generated Number
- 0101710934
Molecular Formulas
Molecular Formula
- C18-H23-N-O3.Cl-H
Molecular Formula Fragments
- C18-H23-N-O3
- Cl-H
- COMPONENT
Structure Descriptors
InChI
1S/C18H23NO3.ClH/c1-19-11-9-14(10-12-19)13-22-17(20)18(21,16-7-8-16)15-5-3-2-4-6-15;/h2-6,9,16,21H,7-8,10-13H2,1H3;1HInChIKey
VNKAUVLRVFHBCJ-UHFFFAOYSA-NSmiles
C1([C@@](c2ccccc2)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11816, |