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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H43F2N3O5
Molecular Weight 527.6442
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GEMCITABINE ELAIDATE

SMILES

CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O

InChI

InChIKey=HESSNRGIEVBPRB-QDDPNBLJSA-N
InChI=1S/C27H43F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)36-20-21-24(34)27(28,29)25(37-21)32-19-18-22(30)31-26(32)35/h9-10,18-19,21,24-25,34H,2-8,11-17,20H2,1H3,(H2,30,31,35)/b10-9+/t21-,24-,25-/m1/s1

HIDE SMILES / InChI
Molecular Formula C27H43F2N3O5
Molecular Weight 527.6442
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:40:42 UTC 2023
Edited
by admin
on Sat Dec 16 01:40:42 UTC 2023
Record UNII
231C73W7LG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GEMCITABINE ELAIDATE
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
2'-DEOXY-2',2'-DIFLUOROCYTIDINE 5'-(9E)-OCTADEC-9-ENOATE
Common Name English
GEMCITABINE ELAIDATE [USAN]
Common Name English
CO-1.01
Code English
gemcitabine elaidate [INN]
Common Name English
5'-O-(TRANS-9''-OCTADECENOYL)-1-.BETA.-D-2'DEOXY-2',2'-DIFLUOROCYTIDINE
Common Name English
CP-4126
Code English
Gemcitabine elaidate [WHO-DD]
Common Name English
CO-101
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 295909
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
NCI_THESAURUS C2150
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
NCI_THESAURUS C1557
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C79803
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
ChEMBL
CHEMBL3039516
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
FDA UNII
231C73W7LG
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
USAN
ZZ-13
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
DRUG BANK
DB12564
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID00175308
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
PUBCHEM
9828310
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
SMS_ID
100000175012
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
CAS
210829-30-4
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
INN
9409
Created by admin on Sat Dec 16 01:40:42 UTC 2023 , Edited by admin on Sat Dec 16 01:40:42 UTC 2023
PRIMARY
Related Record Type Details
Structure of GEMCITABINE TRIPHOSPHATE
METABOLITE ACTIVE -> PRODRUG
Structure of GEMCITABINE 5'-DIPHOSPHATE
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
Structure of GEMCITABINE 5'-DIPHOSPHATE
ACTIVE MOIETY
Structure of GEMCITABINE TRIPHOSPHATE
ACTIVE MOIETY
NIH
NCATS
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