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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | Valacyclovir hydrochloride | |
| Synonyms |
Valacyclovir BW 256U87 Valacyclovir hydrochloride |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9919 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:124832-27-5 KEGG:D00398 KEGG:C07184
|
|
| formula |
C13H20N6O4.HCl
|
|
| has_exact_synonym |
Valacyclovir hydrochloride
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Valacyclovir BW 256U87
|
|
| id |
CHEBI:9919
|
|
| in_subset | ||
| inchi |
InChI=1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1
|
|
| inchikey |
ZCDDBUOENGJMLV-QRPNPIFTSA-N
|
|
| label |
Valacyclovir hydrochloride
|
|
| mass |
360.800
|
|
| monoisotopicmass |
360.13128
|
|
| notation |
CHEBI:9919
|
|
| prefLabel |
Valacyclovir hydrochloride
|
|
| smiles |
Cl.CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O
|
|
| treeView | ||
| subClassOf |
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