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(Q15409371)
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English
NBOH-2C-CN
chemical compound
4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical structure
NBOH-2CCN structure.png
1,000 × 490; 11 KB
0 references
mass
312.3637
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₀N₂O₃
0 references
canonical SMILES
COC1=CC(=C(C=C1CCNCC2=CC=CC=C2O)OC)C#N
0 references
Identifiers
InChI
InChI=1S/C18H20N2O3/c1-22-17-10-15(11-19)18(23-2)9-13(17)7-8-20-12-14-5-3-4-6-16(14)21/h3-6,9-10,20-21H,7-8,12H2,1-2H3
2 references
reference URL
https://pubchem.ncbi.nlm.nih.gov/compound/90489020
retrieved
April 2018
stated in
ChEBI release 2021-03-01
InChIKey
VWEDZTZAXHMZIL-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
1391489-32-9
2 references
imported from Wikimedia project
English Wikipedia
stated in
CAS Common Chemistry
retrieved
31 December 2022
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1391489-32-9
InChIKey
VWEDZTZAXHMZIL-UHFFFAOYSA-N
based on heuristic
InChIKey match
PubChem CID
90489020
2 references
imported from Wikimedia project
English Wikipedia
stated in
ChEBI release 2021-03-01
ChEBI ID
145979
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
99993750
1 reference
stated in
UniChem
DrugBank ID
13948
1 reference
stated in
DrugBank
DrugBank ID
13948
retrieved
6 July 2021
quotation
CAS no.: 1391489-32-9
(English)
title
N-(2-hydroxybenzyl)-2,5-dimethoxy-4-cyanophenylethylamine
(English)
Probes And Drugs ID
PD069524
0 references
Freebase ID
/m/0z6syk6
0 references
Microsoft Academic ID
2777528516
0 references
Sitelinks
Wikipedia
(3 entries)
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25CN-NBOH
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NBOH-2C-CN
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NBOH-2C-CN
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