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Substance Name: Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester
RN: 101756-58-5
InChIKey: RWTLYBHKSFYKKK-UHFFFAOYSA-N

Molecular Formula

  • C19-H23-N-O3

Molecular Weight

  • 313.395
 
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Names and Synonyms

Synonym

  • 3-(1-Methyl-3-pyrroline)methyl phenyl(1-cyclopentenyl)glycolate

Systematic Name

  • Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester

Registry Numbers

CAS Registry Number

  • 101756-58-5

System Generated Number

  • 0101756585

Structure Descriptors

InChI

1S/C19H23NO3/c1-20-13-7-12-17(20)14-23-18(21)19(22,16-10-5-6-11-16)15-8-3-2-4-9-15/h2-4,7-10,12,17,22H,5-6,11,13-14H2,1H3

InChIKey

RWTLYBHKSFYKKK-UHFFFAOYSA-N

Smiles

c1([C@@](C=2CCCC2)(C(OC[C@@H]2[N@@](CC=C2)C)=O)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11871,