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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H12N4O4
Molecular Weight 228.2053
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DECITABINE

SMILES

NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2

InChI

InChIKey=XAUDJQYHKZQPEU-KVQBGUIXSA-N
InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1

HIDE SMILES / InChI
Molecular Formula C8H12N4O4
Molecular Weight 228.2053
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:03:00 UTC 2023
Edited
by admin
on Sat Dec 16 16:03:00 UTC 2023
Record UNII
776B62CQ27
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DECITABINE
INN   MART.   MI   ORANGE BOOK   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
1,3,5-TRIAZIN-2(1H)-ONE, 4-AMINO-1-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-
Common Name English
Decitabine [WHO-DD]
Common Name English
ASTX-727 COMPONENT DECITABINE
Common Name English
4-AMINO-1-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-S-TRIAZIN-2(1H)-ONE
Common Name English
DACOGEN
Brand Name English
DECITABINE [VANDF]
Common Name English
ASTX727 COMPONENT DECITABINE
Common Name English
NSC-127716
Code English
5-AZA-2'-DEOXYCYTIDINE
Systematic Name English
INQOVI COMPONENT DECITABINE
Brand Name English
5-AZA-DEOXYCYTIDINE
Systematic Name English
DECITABINE COMPONENT OF INQOVI
Brand Name English
decitabine [INN]
Common Name English
DAC
Common Name English
2'-DEOXY-5-AZACYTIDINE
Common Name English
DECITABINE [MART.]
Common Name English
DECITABINE [USAN]
Common Name English
DECITABINE [MI]
Common Name English
DECITABINE [ORANGE BOOK]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 555916
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
NCI_THESAURUS C1557
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
FDA ORPHAN DRUG 227106
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
FDA ORPHAN DRUG 159702
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
NDF-RT N0000000233
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
FDA ORPHAN DRUG 122298
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
NCI_THESAURUS C2083
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
FDA ORPHAN DRUG 123399
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
FDA ORPHAN DRUG 537716
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
WHO-VATC QL01BC08
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
EU-Orphan Drug EU/3/17/1881
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
EMA ASSESSMENT REPORTS DACOGEN (AUTHORIZED: LEUKEMIA, MYELOID)
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
FDA ORPHAN DRUG 697019
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
LIVERTOX NBK548668
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
NDF-RT N0000175595
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
WHO-ATC L01BC08
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
FDA ORPHAN DRUG 20687
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C981
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
WIKIPEDIA
DECITABINE
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
DRUG BANK
DB01262
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
FDA UNII
776B62CQ27
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
EVMPD
SUB06932MIG
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
MERCK INDEX
m4126
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL1201129
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
CHEBI
50131
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
RXCUI
15657
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY RxNorm
DRUG CENTRAL
790
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
IUPHAR
6805
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
DAILYMED
776B62CQ27
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
CAS
2353-33-5
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
RS_ITEM_NUM
1165204
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
PUBCHEM
451668
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
MESH
C014347
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
LACTMED
Decitabine
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
INN
6374
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
SMS_ID
100000083471
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID7030432
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
USAN
AA-24
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
ECHA (EC/EINECS)
219-089-4
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
NSC
127716
Created by admin on Sat Dec 16 16:03:02 UTC 2023 , Edited by admin on Sat Dec 16 16:03:02 UTC 2023
PRIMARY
Related Record Type Details
Structure of DECITABINE MONOHYDRATE
SOLVATE->ANHYDROUS
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Structure of DECITABINE
EXCRETED UNCHANGED
According to the limited data in the study by van Groeningen et al. (1986), decitabine is not excreted unchanged in urine.
DNA (CYTOSINE-5)-METHYLTRANSFERASE 1
TARGET -> INHIBITOR
Structure of DECITABINE MONOHYDRATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of 1-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-1,3,5-TRIAZINE-2,4(1H,3H)-DIONE
METABOLITE INACTIVE -> PARENT
Structure of GUADECITABINE
PRODRUG -> METABOLITE ACTIVE
Structure of 5-AZA-2'-DEOXYCYTIDINE TRIPHOSPHATE
METABOLITE -> PARENT
Structure of 1-(2-DEOXY-5-O-PHOSPHONO-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-1,3,5-TRIAZINE-2,4(1H,3H)-DIONE
METABOLITE -> PARENT
Structure of 5-AZA-2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE
METABOLITE -> PARENT
Related Record Type Details
Structure of 4-AMINO-1-(3,5-DI-O-(4-CHLOROBENZOYL)-2-DEOXY-.BETA.-D-RIBOFURANOSYL)-1,3,5-TRIAZIN-2(1H)-ONE
IMPURITY -> PARENT
Structure of 1-O-ACETYL-3,5-DI-O-(4-CHLOROBENZOYL)-2'-DEOXY-D-RIBOFURANOSE
IMPURITY -> PARENT
Related Record Type Details
Structure of DECITABINE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Tmax PHARMACOKINETIC ONCE DAILY

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