(13cis)-Retinoic acid | CAS No. 4759-48-2

(13cis)-Retinoic acid

Basic Information

CAS Number

4759-48-2

Molecular Formula

C20H28O2

Molecular Weight

300.44 g/mol

AD

Basic Physical Properties

Melting Point

172-175 °C

Boiling Point

462.8°C at 760 mmHg

Flash Point

350.6 °C

Refractive Index

1.4800 (estimate)

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C

InChI

InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-

InChIKey

SHGAZHPCJJPHSC-XFYACQKRSA-N

LogP

5.602600000000005

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

567

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
H360 May damage fertility or the unborn child
Reproductive toxicity

Toxicity

LD50 (20 day) in mice, rats (mg/kg): 904, 901 i.p.; 3389, >4000 orally (Kamm)

Synonyms & References

English

  • Isotretinoin (USAN:USP:INN:BAN)
  • BML2-E07
  • cis retinoic acid
  • Oratane
  • HMS2095D14
  • BRN 1885770
  • Isotretinoin
  • Isotretinoinum [INN-Latin]
  • DTXSID4023177
  • (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
  • SDCCGSBI-0051051.P004
  • NSC329481
  • ISOTRETINOIN [HSDB]
  • HMS1361C13
  • DS-3367
  • IDI1_033801
  • HY-15127
  • RETINOIC ACID 13-CIS-FORM [MI]
  • 13-cRA
  • HMS3263I04
  • HMS2233A07
  • NCGC00261766-01
  • ABSORICA LD
  • Isotretinoin, European Pharmacopoeia (EP) Reference Standard
  • Retinoic acid, (13cis)-
  • ISOTRETINOIN [WHO-DD]
  • NCGC00094358-03
  • BCP18950
  • Isotretinoin [USAN:BAN:INN]
  • NCGC00094358-08
  • isotretinoino

MDL Number

MFCD00079542

Customs Code

2942000000

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