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Details

Stereochemistry ACHIRAL
Molecular Formula C20H28O2
Molecular Weight 300.4351
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of ISOTRETINOIN

SMILES

CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\C(O)=O

InChI

InChIKey=SHGAZHPCJJPHSC-XFYACQKRSA-N
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-

HIDE SMILES / InChI
Molecular Formula C20H28O2
Molecular Weight 300.4351
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 4
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:04:26 UTC 2023
Edited
by admin
on Fri Dec 15 15:04:26 UTC 2023
Record UNII
EH28UP18IF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOTRETINOIN
EP   HSDB   INN   MART.   MI   ORANGE BOOK   USAN   USP   USP-RS   VANDF   WHO-DD  
USAN   INN  
Official Name English
RO 4-3780
Code English
ISOTRETINOIN [ORANGE BOOK]
Common Name English
ISOTRETINOIN [MI]
Common Name English
VITAMIN A ACID, 13-CIS
Common Name English
ACCUTANE
Brand Name English
SOTRET
Brand Name English
TRETINOIN IMPURITY A [EP IMPURITY]
Common Name English
RETINOIC ACID, 13-CIS-
Common Name English
ISOTRETINOIN [USP-RS]
Common Name English
RO-4-3780
Code English
ISOTRETINOIN [EP MONOGRAPH]
Common Name English
RO-43780
Code English
ABSORICA LD
Brand Name English
isotretinoin [INN]
Common Name English
CLARAVIS
Brand Name English
PAT-001
Code English
13-CIS-RETINOIC ACID
Common Name English
ISOTRETINOIN [HSDB]
Common Name English
NSC-758156
Code English
ABSORICA
Brand Name English
Isotretinoin [WHO-DD]
Common Name English
RETINOIC ACID 13-CIS-FORM [MI]
Common Name English
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)2-cis-4-trans-6-trans-8-trans-nonatetraenoic acid
Common Name English
AMNESTEEM
Brand Name English
ISOTRETINOIN [USAN]
Common Name English
ISOTRETINOIN [VANDF]
Common Name English
ISOTRETINOIN [USP MONOGRAPH]
Common Name English
ISOTRETINOIN [MART.]
Common Name English
Classification Tree Code System Code
WHO-ATC D10AD54
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
WHO-VATC QD10AD04
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
LIVERTOX NBK547857
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
WHO-ATC D10BA01
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
NDF-RT N0000007700
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
WHO-ATC D10AD04
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
NDF-RT N0000007700
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
NDF-RT N0000007700
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
WHO-VATC QD10BA01
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
NDF-RT N0000175607
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
FDA ORPHAN DRUG 424614
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
NDF-RT N0000007700
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
NDF-RT N0000007700
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
NCI_THESAURUS C804
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
WHO-VATC QD10AD54
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
Code System Code Type Description
RXCUI
6064
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY RxNorm
RS_ITEM_NUM
1353500
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
HSDB
3929
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
SMS_ID
100000089811
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
EVMPD
SUB08341MIG
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
NSC
758156
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
PUBCHEM
5282379
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
FDA UNII
EH28UP18IF
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
ChEMBL
CHEMBL547
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
ECHA (EC/EINECS)
225-296-0
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
CAS
4759-48-2
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
DRUG BANK
DB00982
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
CHEBI
6067
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
MERCK INDEX
m6544
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY Merck Index
DRUG CENTRAL
1508
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
INN
4617
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
MESH
D015474
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
IUPHAR
7600
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
MERCK INDEX
m9558
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
LACTMED
Isotretinoin
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
WIKIPEDIA
ISOTRETINOIN
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
DAILYMED
EH28UP18IF
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID4023177
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
NCI_THESAURUS
C603
Created by admin on Fri Dec 15 15:04:26 UTC 2023 , Edited by admin on Fri Dec 15 15:04:26 UTC 2023
PRIMARY
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Structure of 4-OXOISOTRETINOIN
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Structure of TRETINOIN
PARENT -> METABOLITE
MAJOR
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Structure of 4-OXOTRETINOIN
METABOLITE -> PARENT
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Structure of 13-CIS-5,6-DIHYDRO-5,6-EPOXYRETINOIC ACID
IMPURITY -> PARENT
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IMPURITY -> PARENT
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Structure of 9,13-DI-CIS-RETINOIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of ISOTRETINOIN
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
NIH
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