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Substance Name: Hydrocinnamic acid, p-hydroxy-, 3-alpha-tropanyl ester, acetate
RN: 23035-93-0
InChIKey: XOIONEZPIOPZKT-VQFNDLOPSA-N

Molecular Formula

  • C17-H25-N-O4

Molecular Weight

  • 331.4095
 
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Names and Synonyms

Synonyms

  • p-Hydroxyhydrocinnamic acid, 3-alpha-tropanyl ester, acetate
  • Phloretic acid, 3-alpha-tropanyl ester, acetate

Systematic Name

  • Hydrocinnamic acid, p-hydroxy-, 3-alpha-tropanyl ester, acetate

Registry Numbers

CAS Registry Number

  • 23035-93-0

System Generated Number

  • 0023035930

Structure Descriptors

InChI

1S/C19H25NO4/c1-13(21)23-17-8-3-14(4-9-17)5-10-19(22)24-18-11-15-6-7-16(12-18)20(15)2/h3-4,8-9,15-16,18H,5-7,10-12H2,1-2H3/t15-,16+,18+

InChIKey

XOIONEZPIOPZKT-VQFNDLOPSA-N

Smiles

CC(=O)Oc1ccc(cc1)CCC(=O)O[C@H]2C[C@H]3CC[C@@H](C2)N3C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Russian Pharmacology and Toxicology Vol. 32, Pg. 24, 1969.