CAS Number4759-48-2
SynonymsEINECS 225-296-0; sotret; isotrex; ROACCUTANE; Retinoin; MFCD00079542; Claravis; Accutane; teriosal; (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid; Isoretinoin; Ro 4-3780; cis-retinoic acid; 13-cis-ra; (13Z)-Retinoic Acid; Retinoic acid 13-cis-form; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-cis-4-trans-6-trans-8-trans-nonatetraenoic acid; 13-cis-Retinoic acid; (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid; 13-ra; 13-cis-vitamin A acid; Isotretinoin; Amnesteem
Molecular FormulaC20H28O2
Molecular Weight300.44
Purity≥98 (HPLC)%
Density1.0±0.1 g/cm3
Boiling Point462.8±14.0 °C at 760 mmHg
Melting Point172-175 °C (lit.)
Appearancepowder
EINECS225-296-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4759-48-2 |
| Catalog No. | 2A-9011062 |
| Chinese Name | 异维A酸 |
| Synonyms | EINECS 225-296-0; sotret; isotrex; ROACCUTANE; Retinoin; MFCD00079542; Claravis; Accutane; teriosal; (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid; Isoretinoin; Ro 4-3780; cis-retinoic acid; 13-cis-ra; (13Z)-Retinoic Acid; Retinoic acid 13-cis-form; 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-cis-4-trans-6-trans-8-trans-nonatetraenoic acid; 13-cis-Retinoic acid; (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid; 13-ra; 13-cis-vitamin A acid; Isotretinoin; Amnesteem |
| Molecular Formula | C20H28O2 |
| Molecular Weight | 300.44 |
| Purity | ≥98 (HPLC) |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 462.8±14.0 °C at 760 mmHg |
| Melting Point | 172-175 °C (lit.) |
| Appearance | powder |
| Water Solubility | insoluble |
| Storage Condition | Store at room temperature, away from light, in a v |
| Application | Isotretinoin (13-cis-Retinoic acid) can treat severe acne, and can also be used in chemotherapy for brain cancer, pancreatic cancer, etc. |
| EINECS | 225-296-0 |
| HTC | 2942000000 |
| PubChem ID | 24278676 |
| MDL Number | MFCD00079542 |
| SMILES | [H]\C(C(O)=O)=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C |
| 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- |
| InChI Key | SHGAZHPCJJPHSC-XFYACQKRSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352106 |
| Hazard Symbols | Transport |
| MSDS | msds/11062_1_4759_48_2.pdf |
| Bioactivity | Isotretinoin(13-cis-Retinoic acid) is a medication used for the treatment of severe acne. It was first developed to be used as a chemotherapy medication for the treatment of brain cancer, pancreatic cancer and more.Target: RAR/RXRIsotretinoin has been the most effective and long-lasting drug for the treatment of severe acne for more than 30 years and can achieve long-term remission in 70-80% of patients after a single course. The new evidence-based European S3-guideline recommends the use of Isotretinoin as a first-line medication for the treatment of severe papulopustular or conglobate acne, especially when prognostically unfavorable factors are present: family history of acne, early onset, marked seborrhea, localization on the trunk, scarring, psychosocial disability or persistent/late-type acne [1]. Five patients with pityriasis rubra pilaris were treated with isotretinoin from September 1982 through 1985. Isotretinoin at an average dose of 1.16 mg/kg/day for 16 to 24 weeks caused complete or almost complete clearing in four of the five patients [2]. isotretinoin produces significant anti-inflammatory effects by inhibition of monocyte and neutrophil chemotaxis across intact biologic barriers in vivo [3]. Isotretinoin 5 mg/day is effective in reducing the number of acne lesions, and improving patients dermatologic quality of life, with minimal adverse effects [4]. Clinical indications: Acne Toxicity: Isotretinoin is teratogenic. It also causes mucocutaneous side effects suck as cheilitis, dry skin, and dry eyes. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> RAR/RXR Research Areas >> Cancer Natural Products >> Others Target Human Endogenous Metabolite References [1]. Thielitz, A. and H. Gollnick, [Isotretinoin. How should it be used?]. Hautarzt, 2013. 64(4): p. 263-8. [2]. Norris, D.A., et al., Isotretinoin produces significant inhibition of monocyte and neutrophil chemotaxis in vivo in patients with cystic acne. J Invest Dermatol, 1987. 89(1): p. 38-43. [3]. Rademaker, M., J.M. Wishart, and N.M. Birchall, Isotretinoin 5 mg daily for low-grade adult acne vulgaris - a placebo-controlled, randomized double-blind study. J Eur Acad Dermatol Venereol, 2013. [4]. Dicken, C.H., Isotretinoin treatment of pityriasis rubra pilaris. J Am Acad Dermatol, 1987. 16(2 Pt 1): p. 297-301. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 462.8±14.0 °C at 760 mmHg Melting Point 172-175 °C(lit.) Molecular Formula C20H28O2 Molecular Weight 300.435 Flash Point 350.6±11.0 °C Exact Mass 300.208923 PSA 37.30000 LogP 6.83 Vapour Pressure 0.0±2.5 mmHg at 25°C Index of Refraction 1.556 InChIKey SHGAZHPCJJPHSC-XFYACQKRSA-N SMILES CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O Storage condition −20°C Stability Stable, but probably air and light sensitive. Combustible. Incompatible with strong oxidizing agents. Water Solubility insoluble |
| Use of | Properties Articles113 Name isotretinoin Synonym More Synonyms Isotretinoin Biological Activity Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> RAR/RXR Research Areas >> Cancer Natural Products >> Others Human Endogenous Metabolite References [1]. Thielitz, A. and H. Gollnick, [Isotretinoin. How should it be used?]. Hautarzt, 2013. 64(4): p. 263-8. [2]. Norris, D.A., et al., Isotretinoin produces significant inhibition of monocyte and neutrophil chemotaxis in vivo in patients with cystic acne. J Invest Dermatol, 1987. 89(1): p. 38-43. [4]. Dicken, C.H., Isotretinoin treatment of pityriasis rubra pilaris. J Am Acad Dermatol, 1987. 16(2 Pt 1): p. 297-301. Chemical & Physical Properties Molecular Formula C20H28O2 Exact Mass 300.208923 PSA 37.30000 Index of Refraction 1.556 InChIKey SHGAZHPCJJPHSC-XFYACQKRSA-N SMILES CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O Stability Stable, but probably air and light sensitive. Combustible. Incompatible with strong oxidizing agents. Water Solubility insoluble |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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