INOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), 3'-(2-(METHYLAMINO)BENZOATE)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22N5O15P3
Molecular Weight	641.3131
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of INOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), 3'-(2-(METHYLAMINO)BENZOATE)

Structure Search

SMILES

CNC1=C(C=CC=C1)C(=O)O[C@@H]2[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O)N3C=NC4=C3N=CNC4=O

InChI

InChIKey=YLGJGIQMPBUPHB-LSCFUAHRSA-N

InChI=1S/C18H22N5O15P3/c1-19-10-5-3-2-4-9(10)18(26)36-14-11(6-34-40(30,31)38-41(32,33)37-39(27,28)29)35-17(13(14)24)23-8-22-12-15(23)20-7-21-16(12)25/h2-5,7-8,11,13-14,17,19,24H,6H2,1H3,(H,30,31)(H,32,33)(H,20,21,25)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H22N5O15P3
Molecular Weight	641.3131
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:44:29 GMT 2023` Edited by `admin` on `Sat Dec 16 09:44:29 GMT 2023`
Record UNII	UM454S5O2G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

INOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), 3'-(2-(METHYLAMINO)BENZOATE)

Common Name

English

Code System Code Type Description

FDA UNII

UM454S5O2G

Created by admin on Sat Dec 16 09:44:29 GMT 2023 , Edited by admin on Sat Dec 16 09:44:29 GMT 2023

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CAS

91828-81-8

Created by admin on Sat Dec 16 09:44:29 GMT 2023 , Edited by admin on Sat Dec 16 09:44:29 GMT 2023

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PUBCHEM

135564779

Created by admin on Sat Dec 16 09:44:29 GMT 2023 , Edited by admin on Sat Dec 16 09:44:29 GMT 2023

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