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Substance Name: Aspartame [USAN:INN:BAN:NF]
RN: 22839-47-0
UNII: Z0H242BBR1
InChIKey: IAOZJIPTCAWIRG-QWRGUYRKSA-N

Note

  • Flavoring agent sweeter than sugar, metabolized as PHENYLALANINE and ASPARTIC ACID.

Molecular Formula

  • C14-H18-N2-O5

Molecular Weight

  • 294.3052
 

Classification Codes

  • Flavoring Agents
  • Food Additives
  • Human Data
  • Reproductive Effect
  • Sweetener
  • Sweetening Agents
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Names and Synonyms

Name of Substance

  • Aspartame
  • Aspartame [USAN:INN:BAN:NF]

MeSH Heading

  • Aspartame

Synonyms

  • 1-Methyl N-L-alpha-aspartyl-L-phenylalanate
  • 1-Methyl N-L-alpha-aspartyl-L-phenylalanine
  • 3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester
  • 3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester, stereoisomer
  • 3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid
  • APM
  • Asp-phe-ome
  • Aspartam
  • Aspartam [INN-French]
  • Aspartame
  • Aspartame, L,L-alpha-
  • Aspartamo
  • Aspartamo [INN-Spanish]
  • Aspartamum
  • Aspartamum [INN-Latin]
  • Aspartylphenylalanine methyl ester
  • Canderel
  • CCRIS 5456
  • Dipeptide sweetener
  • EINECS 245-261-3
  • Equal
  • HSDB 3915
  • L-Aspartyl-L-phenylalanine methyl ester
  • L-Phenylalanine, N-L-alpha-aspartyl-, 1-methyl ester
  • Methyl aspartylphenylalanate
  • Methyl L-alpha-aspartyl-L-phenylalanate
  • Methyl L-aspartyl-L-phenylalanine
  • Methyl N-L-alpha-aspartyl-L-phenylalaninate
  • N-L-alpha-Aspartyl-L-phenylalanine 1-methyl ester
  • NSC 758953
  • Nutrasweet
  • SC 18862
  • SC-18862
  • Succinamic acid, 3-amino-N-(alpha-carboxyphenethyl)-, N-methyl ester, stereoisomer
  • Sweet dipeptide
  • Tri-sweet
  • UNII-Z0H242BBR1

Systematic Names

  • Aspartame
  • L-Phenylalanine, L-alpha-aspartyl-, 2-methyl ester
  • L-Phenylalanine, N-L-alpha-aspartyl-, 1-methyl ester
  • Succinamic acid, 3-amino-N-(alpha-carboxyphenethyl)-, N-methyl ester, stereoisomer

Superlist Name

  • Aspartame

Registry Numbers

CAS Registry Number

  • 22839-47-0

FDA UNII

  • Z0H242BBR1

Other Registry Numbers

  • 172964-81-7
  • 53906-69-7
  • 7421-84-3

System Generated Number

  • 0022839470

Structure Descriptors

InChI

InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1

InChIKey

IAOZJIPTCAWIRG-QWRGUYRKSA-N

Smiles

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
mouse LD50 oral > 10gm/kg (10000mg/kg)   Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
rat LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
rat LD50 oral > 10gm/kg (10000mg/kg)   Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
women TDLo oral 3710ug/kg (3.71mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE" Annals of Internal Medicine. Vol. 104, Pg. 207, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 246.5 deg C   EXP
log P (octanol-water) 0.070 (none)   EST
Vapor Pressure 4.54E-12 mm Hg 25 EST
Henry's Law Constant 2.53E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.56E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.