KEGG DRUG: Isotretinoin

DRUG: Isotretinoin

Entry

D00348                      Drug

Name

Isotretinoin (JAN/USP);
Absorica (TN);
Accutane (TN);
Sotret (TN)

Product

ISOTRETINOIN (Sun Pharmaceutical Industries)

Generic

ACCUTANE (JG Pharma), AMNESTEEM (Mylan Pharmaceuticals), CLARAVIS (Teva Pharmaceuticals USA), ISOTRETINOIN (Actavis Pharma), ISOTRETINOIN (Amneal Pharmaceuticals NY LLC), ISOTRETINOIN (Aurobindo Pharma Limited), ISOTRETINOIN (Mayne Pharma), ISOTRETINOIN (Mayne Pharma), ISOTRETINOIN (Mayne Pharma), ISOTRETINOIN (Sun Pharmaceutical Industries), ISOTRETINOIN (Upsher-Smith Laboratories), ISOTRETINOIN (Upsher-Smith Laboratories), ISOTRETINOIN (Upsher-Smith Laboratories), ISOTRETINOIN (Zydus Lifesciences Limited), ISOTRETINOIN (Zydus Pharmaceuticals USA), ZENATANE (Dr. Reddy's Laboratories Limited)

Formula

C20H28O2

Exact mass

300.2089

Mol weight

300.4351

Structure

Simcomp

Class

Vitamin and mineral
DG01604 Retinol derivative

Remark

Same as:

C07058

ATC code:

D10AD04 D10BA01

Chemical structure group:

DG00434

Product (DG00434):

D00348<US>

Efficacy

Anti-acne, Keratolytic, Retinoic acid receptor (RAR) agonist

Comment

Retinoid

Target

NR1B (RAR) [HSA:5914 5915 5916] [KO:K08527 K08528 K08529]

Pathway

hsa04659

Th17 cell differentiation

Structure map

map07223

Retinoic acid receptor (RAR) and retinoid X receptor (RXR) agonists/antagonists

Brite

Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AD Retinoids for topical use in acne
     D10AD04 Isotretinoin
      D00348  Isotretinoin (JAN/USP) <US>
   D10B ANTI-ACNE PREPARATIONS FOR SYSTEMIC USE
    D10BA Retinoids for treatment of acne
     D10BA01 Isotretinoin
      D00348  Isotretinoin (JAN/USP) <US>
USP drug classification [BR:br08302]
Dermatological Agents
  Acne and Rosacea Agents
   Retinoids
    Isotretinoin
     D00348  Isotretinoin (JAN/USP)
Drug groups [BR:br08330]
Vitamin and mineral
  DG01604  Retinol derivative
   DG00434  Isotretinoin
    D00348  Isotretinoin
Target-based classification of drugs [BR:br08310]
Nuclear receptors
  Thyroid hormone like receptors
   Retinoic acid receptor (RAR)
    NR1B (RAR)
     D00348  Isotretinoin (JAN/USP) <US>
Drug groups [BR:br08330]
Vitamin and mineral
  DG01604  Retinol derivative
   DG00434  Isotretinoin

Other DBs

CAS:

4759-48-2

PubChem:

ChEBI:

LigandBox:

NIKKAJI:

KCF data

ATOM        22
            1   C2y C    20.0200  -21.8400
            2   C1z C    18.7600  -21.1400
            3   C2y C    20.0200  -23.2400
            4   C2b C    21.2100  -21.1400
            5   C1x C    17.5700  -21.8400
            6   C1a C    19.8800  -20.3000
            7   C1a C    17.5000  -20.2300
            8   C1x C    18.7600  -23.9400
            9   C1a C    21.2100  -23.9400
            10  C2b C    22.4000  -21.8400
            11  C1x C    17.5700  -23.2400
            12  C2c C    23.5900  -21.1400
            13  C2b C    24.8500  -21.8400
            14  C1a C    23.5900  -19.7400
            15  C2b C    26.0400  -21.1400
            16  C2b C    27.2300  -21.8400
            17  C2c C    28.4200  -21.1400
            18  C2b C    29.6800  -21.8400
            19  C1a C    28.4200  -19.7400
            20  C6a C    29.6800  -23.2400
            21  O6a O    30.8700  -23.9400
            22  O6a O    28.4200  -23.9400
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11   10  12 1
            12   12  13 2
            13   12  14 1
            14   13  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   17  19 1
            19   18  20 1
            20   20  21 1
            21   20  22 2
            22    8  11 1

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