U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H11N3O4
Molecular Weight 225.2013
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANCITABINE

SMILES

[H][C@@]12OC3=NC(=N)C=CN3[C@]1([H])O[C@H](CO)[C@H]2O

InChI

InChIKey=BBDAGFIXKZCXAH-CCXZUQQUSA-N
InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8-/m1/s1

HIDE SMILES / InChI
Molecular Formula C9H11N3O4
Molecular Weight 225.2013
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:35:52 UTC 2023
Edited
by admin
on Fri Dec 15 17:35:52 UTC 2023
Record UNII
DO2D32W0VC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANCITABINE
INN   MI   WHO-DD  
INN  
Official Name English
ANCITABINE [MI]
Common Name English
Ancitabine [WHO-DD]
Common Name English
(2R,3R,3AS,9AR)-2,3,3A,9A-TETRAHYDRO-3-HYDROXY-6-IMINO-6H-FURO(2',3';4,5)OXAZOLO(3,2-A)PYRIMIDINE-2-METHANOL
Common Name English
ancitabine [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1557
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
Code System Code Type Description
MESH
D003504
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY
MERCK INDEX
m1893
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY Merck Index
CHEBI
74838
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY
PUBCHEM
25051
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID6020357
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY
CAS
31698-14-3
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY
SMS_ID
100000086922
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY
CHEBI
74843
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY
INN
3992
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY
EVMPD
SUB05507MIG
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY
FDA UNII
DO2D32W0VC
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY
DRUG CENTRAL
212
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY
ChEMBL
CHEMBL1412614
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY
NCI_THESAURUS
C80636
Created by admin on Fri Dec 15 17:35:52 UTC 2023 , Edited by admin on Fri Dec 15 17:35:52 UTC 2023
PRIMARY
Related Record Type Details
Structure of ANCITABINE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of CYTARABINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of ANCITABINE
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966