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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H15N5O3
Molecular Weight 277.2797
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENTECAVIR 1-EPIMER

SMILES

C=C1[C@]([H])(CO)[C@]([H])(C[C@@]1([H])n2cnc3c2[nH]c(=N)nc3O)O

InChI

InChIKey=QDGZDCVAUDNJFG-RNJXMRFFSA-N
InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7+,8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H15N5O3
Molecular Weight 277.2797
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 05:10:29 UTC 2021
Edited
by admin
on Sat Jun 26 05:10:29 UTC 2021
Record UNII
LNS2U38C9S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENTECAVIR 1-EPIMER
Common Name English
ENTECAVIR 1-EPIMER [USP]
Common Name English
6H-PURIN-6-ONE, 2-AMINO-1,9-DIHYDRO-9-((1R,3R,4S)-4-HYDROXY-3-(HYDROXYMETHYL)-2-METHYLENECYCLOPENTYL)-
Systematic Name English
9-((1R,3R,4S)-4-HYDROXY-3-(HYDROXYMETHYL)-2-METHYLENECYCLOPENTYL)GUANINE
Systematic Name English
2-AMINO-1,9-DIHYDRO-9-((1R,3R,4S)-4-HYDROXY-3-(HYDROXYMETHYL)-2-METHYLENECYCLOPENTYL)-6H-PURIN-6-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
135743573
Created by admin on Sat Jun 26 05:10:29 UTC 2021 , Edited by admin on Sat Jun 26 05:10:29 UTC 2021
PRIMARY
CAS
1367369-78-5
Created by admin on Sat Jun 26 05:10:29 UTC 2021 , Edited by admin on Sat Jun 26 05:10:29 UTC 2021
PRIMARY
FDA UNII
LNS2U38C9S
Created by admin on Sat Jun 26 05:10:29 UTC 2021 , Edited by admin on Sat Jun 26 05:10:29 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP