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(Q72444929)
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English
BCH 189
chemical compound
4-Amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
229.052112212
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(+/-)-trans-lamivudine
1 reference
based on heuristic
inferred from InChI
2(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-trans)-
1 reference
based on heuristic
inferred from InChI
(+)-cis-lamivudine
1 reference
based on heuristic
inferred from InChI
2(1H)-Pyrimidinone, 4-amino-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-
1 reference
based on heuristic
inferred from InChI
lamivudine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₁₁N₃O₃S
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canonical SMILES
N=c1ccn(C2CSC(CO)O2)c(O)n1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N=c1ccn([C@@H]2CS[C@H](CO)O2)c(O)n1
1 reference
based on heuristic
inferred from InChI
catalog
CAS COVID-19 Anti-Viral Candidate Compounds
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Identifiers
InChI
InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
0 references
InChIKey
JTEGQNOMFQHVDC-NKWVEPMBSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
136891-12-8
0 references
PubChem CID
60825
1 reference
matched by identifier from
InChIKey
InChIKey
JTEGQNOMFQHVDC-NKWVEPMBSA-N
ChEBI ID
63577
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
SureChEMBL ID
SCHEMBL109675
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JTEGQNOMFQHVDC-NKWVEPMBSA-N
DSSTox substance ID
DTXSID7023194
1 reference
matched by identifier from
InChIKey
InChIKey
JTEGQNOMFQHVDC-NKWVEPMBSA-N
DrugBank ID
DB00709
1 reference
matched by identifier from
InChIKey
InChIKey
JTEGQNOMFQHVDC-NKWVEPMBSA-N
Human Metabolome Database ID
HMDB0014847
1 reference
matched by identifier from
InChIKey
InChIKey
JTEGQNOMFQHVDC-NKWVEPMBSA-N
UNII
2T8Q726O95
1 reference
matched by identifier from
InChIKey
InChIKey
JTEGQNOMFQHVDC-NKWVEPMBSA-N
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