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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 ALITRETINOIN

SMILES

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

InChI

InChIKey=SHGAZHPCJJPHSC-ZVCIMWCZSA-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 Sat Dec 16 17:57:55 UTC 2023
Edited
by admin
on Sat Dec 16 17:57:55 UTC 2023
Record UNII
1UA8E65KDZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALITRETINOIN
EMA EPAR   HSDB   INN   MART.   MI   ORANGE BOOK   USAN   VANDF   WHO-DD  
USAN   INN  
Official Name English
PANRETIN
Brand Name English
RETINOIC ACID 9-CIS-FORM [MI]
Common Name English
LG-100057
Code English
ALITRETINOIN [MART.]
Common Name English
ISOTRETINOIN IMPURITY D [EP IMPURITY]
Common Name English
9-CIS-RETINOIC ACID
Common Name English
ALITRETINOIN [USAN]
Common Name English
ALRT-1057
Code English
TRETINOIN IMPURITY D [EP IMPURITY]
Common Name English
ALITRETINOIN [ORANGE BOOK]
Common Name English
ALRT1057
Code English
LGD-1057
Code English
LGD1057
Code English
ALITRETINOIN [MI]
Common Name English
ALITRETINOIN [VANDF]
Common Name English
alitretinoin [INN]
Common Name English
LG100057
Code English
(2E,4E,6Z,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid
Systematic Name English
ALITRETINOIN [HSDB]
Common Name English
9-CIS RETINOIC ACID
Common Name English
AGN192013
Code English
NSC-659772
Code English
AGN-192013
Code English
ALITRETINOIN [EMA EPAR]
Common Name English
Alitretinoin [WHO-DD]
Common Name English
BAL-4079
Code English
Classification Tree Code System Code
WHO-ATC D11AX19
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
WHO-VATC QL01XX22
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
WHO-VATC QD11AH04
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
NDF-RT N0000007700
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
NCI_THESAURUS C804
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
NDF-RT N0000007700
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
FDA ORPHAN DRUG 101296
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
WHO-ATC D11AH04
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
EMA ASSESSMENT REPORTS PANRETIN (AUTHORIZED: SARCOMA, KAPOSI)
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
NDF-RT N0000007700
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
NDF-RT N0000007700
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
FDA ORPHAN DRUG 110998
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
WHO-ATC L01XX22
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
NDF-RT N0000175607
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
FDA ORPHAN DRUG 66592
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
NDF-RT N0000007700
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
FDA ORPHAN DRUG 708819
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C1574
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
INN
7781
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
HSDB
7186
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
ChEMBL
CHEMBL705
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
MERCK INDEX
m1511
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY Merck Index
DRUG CENTRAL
3862
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
MERCK INDEX
m9558
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
MESH
C103303
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
DAILYMED
1UA8E65KDZ
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID6040404
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
SMS_ID
100000089387
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
CAS
5300-03-8
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
DRUG BANK
DB00523
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
RXCUI
81864
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY RxNorm
USAN
KK-22
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
IUPHAR
2645
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
WIKIPEDIA
ALITRETINOIN
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
NSC
659772
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
EVMPD
SUB00344MIG
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
PUBCHEM
449171
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
CHEBI
50648
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
FDA UNII
1UA8E65KDZ
Created by admin on Sat Dec 16 17:57:56 UTC 2023 , Edited by admin on Sat Dec 16 17:57:56 UTC 2023
PRIMARY
Related Record Type Details
VITAMIN A
PARENT -> DERIVATIVE
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TARGET -> AGONIST
Binding Assay
IC50
RETINOIC ACID RECEPTOR RXR-GAMMA
TARGET -> AGONIST
RETINOIC ACID RECEPTOR RXR-BETA
TARGET -> AGONIST
RETINOIC ACID RECEPTOR BETA
TARGET -> AGONIST
Retinoic acid receptor gamma
TARGET -> AGONIST
RETINOID X RECEPTOR ALPHA
TARGET -> AGONIST
Related Record Type Details
Structure of ISOTRETINOIN
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of TRETINOIN
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of ALITRETINOIN
ACTIVE MOIETY
NIH
NCATS
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ACCESSIBILITY
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