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Substance Name: Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 3-quinuclidinyl ester
RN: 101711-10-8
InChIKey: ILCDYUPSRCDDOW-UHFFFAOYSA-N
Molecular Formula
- C21-H27-N-O3
Molecular Weight
- 341.448
Names and Synonyms
Synonyms
- 3-Quinuclidyl phenyl(3-methyl-1-pentynyl)glycolate A
- 3-Quinuclidyl phenyl(3-methyl-1-pentynyl)glycolate B
Systematic Name
- Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 3-quinuclidinyl ester
Registry Numbers
CAS Registry Number
- 101711-10-8
System Generated Number
- 0101711108
Structure Descriptors
InChI
1S/C21H27NO3/c1-3-16(2)9-12-21(24,18-7-5-4-6-8-18)20(23)25-19-15-22-13-10-17(19)11-14-22/h4-8,16-17,19,24H,3,10-11,13-15H2,1-2H3InChIKey
ILCDYUPSRCDDOW-UHFFFAOYSA-NSmiles
c1([C@@](C(O[C@@H]2C3CCN(C2)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#11844, |