(S)-2-((2-IMINO-6-OXO-2,3-DIHYDRO-1H-PURIN-9(6H)-YL)METHOXY)ETHYL 2-((TERT-BUTOXYCARBONYL)AMINO)-3-METHYLBUTANOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H28N6O6
Molecular Weight	424.4515
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (S)-2-((2-IMINO-6-OXO-2,3-DIHYDRO-1H-PURIN-9(6H)-YL)METHOXY)ETHYL 2-((TERT-BUTOXYCARBONYL)AMINO)-3-METHYLBUTANOATE

Structure Search

SMILES

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCCOCN1C=NC2=C1N=C(N)NC2=O

InChI

InChIKey=FGLBYLSLCQBNHV-NSHDSACASA-N

InChI=1S/C18H28N6O6/c1-10(2)11(21-17(27)30-18(3,4)5)15(26)29-7-6-28-9-24-8-20-12-13(24)22-16(19)23-14(12)25/h8,10-11H,6-7,9H2,1-5H3,(H,21,27)(H3,19,22,23,25)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H28N6O6
Molecular Weight	424.4515
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:39:04 UTC 2023` Edited by `admin` on `Sat Dec 16 14:39:04 UTC 2023`
Record UNII	4YR8G6N3Q3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-2-((2-IMINO-6-OXO-2,3-DIHYDRO-1H-PURIN-9(6H)-YL)METHOXY)ETHYL 2-((TERT-BUTOXYCARBONYL)AMINO)-3-METHYLBUTANOATE

Systematic Name

English

VALACICLOVIR HYDROCHLORIDE HYDRATE IMPURITY S [EP IMPURITY]

Common Name

English

L-VALINE, N-((1,1-DIMETHYLETHOXY)CARBONYL)-, 2-((2-AMINO-1,6-DIHYDRO-6-OXO-9H-PURIN-9-YL)METHOXY)ETHYL ESTER

Systematic Name

English

2-((2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)METHOXY)ETHYL N-(TERT-BUTOXYCARBONYL)-L-VALINATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10436492

Created by admin on Sat Dec 16 14:39:04 UTC 2023 , Edited by admin on Sat Dec 16 14:39:04 UTC 2023

PRIMARY

FDA UNII

4YR8G6N3Q3

Created by admin on Sat Dec 16 14:39:04 UTC 2023 , Edited by admin on Sat Dec 16 14:39:04 UTC 2023

PRIMARY

PUBCHEM

135453428

Created by admin on Sat Dec 16 14:39:04 UTC 2023 , Edited by admin on Sat Dec 16 14:39:04 UTC 2023

PRIMARY

CAS

502421-44-5

Created by admin on Sat Dec 16 14:39:04 UTC 2023 , Edited by admin on Sat Dec 16 14:39:04 UTC 2023

PRIMARY

Related Record Type Details


					JF64RVR4E3

VALACYCLOVIR HYDROCHLORIDE MONOHYDRATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (TLC)

Qualification:

EP

Amount: