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6-IMINO-1-METHYL-2-OXOPURINE-7-ACETIC ACID, SODIUM SALT, HEMIHYDRATE

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6-IMINO-1-METHYL-2-OXOPURINE-7-ACETIC ACID, SODIUM SALT, HEMIHYDRATE
SpectraBase Compound ID CTXir4tgiFO
InChI InChI=1S/2C8H9N5O3.2Na.H2O/c2*1-12-6(9)5-7(11-8(12)16)10-3-13(5)2-4(14)15;;;/h2*3,9H,2H2,1H3,(H,11,16)(H,14,15);;;1H2/q;;2*+1;/p-2
InChIKey YJSQCLNLMPADKU-UHFFFAOYSA-L
Mol Weight 254.181 g/mol
Molecular Formula C8H8N5NaO3·½H2O
Exact Mass 254.057766 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5A5PW7BNtEj
Name 6-IMINO-1-METHYL-2-OXOPURINE-7-ACETIC ACID, SODIUM SALT, HEMIHYDRATE
Source of Sample K. Grozinger, Boehringer Ingelheim Ltd., Ridgefield, Connecticut
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N10Na2O7
InChI InChI=1S/2C8H9N5O3.2Na.H2O/c2*1-12-6(9)5-7(11-8(12)16)10-3-13(5)2-4(14)15;;;/h2*3,9H,2H2,1H3,(H,11,16)(H,14,15);;;1H2/q;;2*+1;/p-2
InChIKey YJSQCLNLMPADKU-UHFFFAOYSA-L
Literature Reference EUR. J. MED. CHEM. 18, 221(1983) Abstract-Chemical Abstracts= 99, 158109W(1983)
Melting Point >300C
Molecular Weight 508.363007
Synonyms PURINE-7-ACETIC ACID, 6-IMINO- 1-METHYL-2-OXO-, SODIUM SALT, HEMI- HYDRATE
Technique KBr WAFER