5-Methyl-2-(1-methylethyl)cyclohexyl 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate, (2R,5R)-(1R,2S,5R)-

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)-

Structure Search

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

Molecular Formula	C18H27N3O4S
Molecular Weight	381.49
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:22:59 GMT 2023` Edited by `admin` on `Sat Dec 16 18:22:59 GMT 2023`
Record UNII	6JLN2JKZ9A
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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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

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