PRADEFOVIR MESYLATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H19ClN5O4P.CH4O3S
Molecular Weight	519.896
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PRADEFOVIR MESYLATE

Structure Search

SMILES

CS(O)(=O)=O.NC1=C2N=CN(CCOC[P@@]3(=O)OCC[C@H](O3)C4=CC=CC(Cl)=C4)C2=NC=N1

InChI

InChIKey=JXQUAHHUSMJUFV-HZPZRMRQSA-N

InChI=1S/C17H19ClN5O4P.CH4O3S/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23;1-5(2,3)4/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21);1H3,(H,2,3,4)/t14-,28+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C17H19ClN5O4P
Molecular Weight	423.791
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:36:08 UTC 2023` Edited by `admin` on `Fri Dec 15 16:36:08 UTC 2023`
Record UNII	0D5204ZSIX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PRADEFOVIR MESYLATE

Official Name

English

PRADEFOVIR MESYLATE [USAN]

Common Name

English

Pradefovir mesilate [WHO-DD]

Common Name

English

PRADEFOVIR MESILATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1557

Created by admin on Fri Dec 15 16:36:08 UTC 2023 , Edited by admin on Fri Dec 15 16:36:08 UTC 2023

NCI_THESAURUS

C281

Created by admin on Fri Dec 15 16:36:08 UTC 2023 , Edited by admin on Fri Dec 15 16:36:08 UTC 2023

Code System Code Type Description

FDA UNII

0D5204ZSIX

Created by admin on Fri Dec 15 16:36:08 UTC 2023 , Edited by admin on Fri Dec 15 16:36:08 UTC 2023

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SMS_ID

300000044516

Created by admin on Fri Dec 15 16:36:08 UTC 2023 , Edited by admin on Fri Dec 15 16:36:08 UTC 2023

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USAN

QQ-64

Created by admin on Fri Dec 15 16:36:08 UTC 2023 , Edited by admin on Fri Dec 15 16:36:08 UTC 2023

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PUBCHEM

9604653

Created by admin on Fri Dec 15 16:36:08 UTC 2023 , Edited by admin on Fri Dec 15 16:36:08 UTC 2023

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DRUG BANK

DB05478

Created by admin on Fri Dec 15 16:36:08 UTC 2023 , Edited by admin on Fri Dec 15 16:36:08 UTC 2023

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EPA CompTox

DTXSID00211558

Created by admin on Fri Dec 15 16:36:08 UTC 2023 , Edited by admin on Fri Dec 15 16:36:08 UTC 2023

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CAS

625095-61-6

Created by admin on Fri Dec 15 16:36:08 UTC 2023 , Edited by admin on Fri Dec 15 16:36:08 UTC 2023

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NCI_THESAURUS

C66454

Created by admin on Fri Dec 15 16:36:08 UTC 2023 , Edited by admin on Fri Dec 15 16:36:08 UTC 2023

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MESH

C497721

Created by admin on Fri Dec 15 16:36:08 UTC 2023 , Edited by admin on Fri Dec 15 16:36:08 UTC 2023

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ChEMBL

CHEMBL2111102

Created by admin on Fri Dec 15 16:36:08 UTC 2023 , Edited by admin on Fri Dec 15 16:36:08 UTC 2023

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