Adapalene | CAS No. 106685-40-9

Adapalene

Basic Information

CAS Number

106685-40-9

Molecular Formula

C28H28O3

Molecular Weight

412.53 g/mol

AD

Basic Physical Properties

Physical State

Solid

Melting Point

>300°C

Boiling Point

606.3°C at 760 mmHg

Density

1.233

Flash Point

205.9±25.0 °C

Solubility

DMSO: >10mg/mL

Refractive Index

1.654

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)

InChIKey

LZCDAPDGXCYOEH-UHFFFAOYSA-N

LogP

6.681400000000006

pKa

4.2(at 25℃)

Topological Polar Surface Area

46.53 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

645

Safety Information

View Safety Information

GHS Hazard Pictograms

H361H361

Hazard Statement

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Synonyms & References

English

  • Adapalene (JAN/USP/INN)
  • D10AD03
  • BCP9000231
  • CHEMBL1265
  • BIDD:GT0264
  • BRD-K33127281-001-01-5
  • IDP-126 Component Adapalene
  • GTPL5429
  • s1276
  • CS-1789
  • NCGC00164617-01
  • CCG-221237
  • ADAPALENE (USP MONOGRAPH)
  • Differin
  • Tox21_112236_1
  • 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthalenecarboxylic acid
  • ADAPALENE [MI]
  • Differine
  • D01112
  • 2-NAPHTHALENECARBOXYLIC ACID, 6-(4-METHOXY-3-TRICYCLO(3.3.1.(SUP 13,7))DEC-1-YLPHENYL)-
  • C28H28O3
  • CD 271
  • Adapalene Topical Solution
  • 6-(3-adamantan-1-yl-4-methoxyphenyl)naphthalene-2-carboxylic acid
  • ADAPALENE (USP-RS)
  • 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
  • 6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid
  • SY009767
  • SCHEMBL2747
  • AB01274764_04
  • Adaferin

MDL Number

MFCD03106112

Customs Code

2918990090

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