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Substance Name: Azelaic acid [USAN:INN]
RN: 123-99-9
UNII: F2VW3D43YT
InChIKey: BDJRBEYXGGNYIS-UHFFFAOYSA-N

Classification Codes

  • Anti-Acne
  • Antineoplastic Agents
  • Dermatologic Agents
  • Skin / Eye Irritant

Molecular Formula

  • C9-H16-O4

Molecular Weight

  • 188.2214
 

Names and Synonyms

Name of Substance

  • 1,7-Heptanedicarboxylic acid
  • Azelaic acid
  • Azelaic acid [USAN:INN]

Synonyms

  • 1,7-Heptanedicarboxylic acid
  • 1,9-Nonanedioic acid
  • 4-02-00-02055 (Beilstein Handbook Reference)
  • Acide azelaique
  • Acide azelaique [French]
  • Acido azelaico
  • Acido azelaico [Spanish]
  • Acidum azelaicum
  • Acidum azelaicum [Latin]
  • AI3-06299
  • Anchoic acid
  • Azelaic acid
  • Azelaic acid, technical grade
  • Azelex
  • BRN 1101094
  • EC 204-669-1
  • EINECS 204-669-1
  • Emerox 1110
  • Emerox 1144
  • Finacea
  • Heptanedicarboxylic acid
  • HSDB 7659
  • Lepargylic acid
  • Nonanedioic acid
  • NSC 19493
  • Skinoren
  • UNII-F2VW3D43YT
  • ZK 62498

Systematic Names

  • Azelaic acid
  • Nonanedioic acid

Superlist Name

  • Azelaic acid

Registry Numbers

CAS Registry Number

  • 123-99-9

FDA UNII

  • F2VW3D43YT

Other Registry Number

  • 1219811-33-2

Related Registry Numbers

  • 17265-13-3 (di-hydrochloride salt)
  • 17356-30-8 (mono-hydrochloride salt)
  • 19619-43-3 (unspecified potassium salt)
  • 27825-99-6 (unspecified hydrochloride salt)
  • 38900-29-7 (di-lithium salt)
  • 52457-54-2 (di-potassium salt)

System Generated Number

  • 0000123999

Structure Descriptors

InChI

1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)

InChIKey

BDJRBEYXGGNYIS-UHFFFAOYSA-N

Smiles

C(=O)(CCCCCCCC(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. AD-A067-313,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 106.5 deg C   EXP
pKa Dissociation Constant 4.55 (none) 25 EXP
log P (octanol-water) 1.57 (none)   EXP
Water Solubility 2400 mg/L 20 EXP
Henry's Law Constant 2.23E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.83E-12 cm3/molecule-sec 25 EST

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