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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H27N3O4S
Molecular Weight 381.49
Optical Activity ( - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Methyl-2-(1-methylethyl)cyclohexyl 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate, (2R,5R)-(1R,2S,5R)-

SMILES

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]2O[C@H](CS2)N3C=CC(N)=NC3=O

InChI

InChIKey=QMYKWNYBSBURDT-OOKGIHQLSA-N
InChI=1S/C18H27N3O4S/c1-10(2)12-5-4-11(3)8-13(12)24-16(22)17-25-15(9-26-17)21-7-6-14(19)20-18(21)23/h6-7,10-13,15,17H,4-5,8-9H2,1-3H3,(H2,19,20,23)/t11-,12+,13-,15-,17-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
5-Methyl-2-(1-methylethyl)cyclohexyl 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate, (2R,5R)-(1R,2S,5R)-
Systematic Name English
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
Systematic Name English
Lamivudine Impurity 1
Common Name English
1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5R)-
Common Name English
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
Common Name English
1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1α(2R*,5R*),2β,5α]]-
Common Name English
(2R,5R)-(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
Systematic Name English
Code System Code Type Description
PUBCHEM
57383485
Created by admin on Sat Dec 16 18:22:59 GMT 2023 , Edited by admin on Sat Dec 16 18:22:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID701104797
Created by admin on Sat Dec 16 18:22:59 GMT 2023 , Edited by admin on Sat Dec 16 18:22:59 GMT 2023
PRIMARY
CAS
147126-80-5
Created by admin on Sat Dec 16 18:22:59 GMT 2023 , Edited by admin on Sat Dec 16 18:22:59 GMT 2023
PRIMARY
FDA UNII
6JLN2JKZ9A
Created by admin on Sat Dec 16 18:22:59 GMT 2023 , Edited by admin on Sat Dec 16 18:22:59 GMT 2023
PRIMARY