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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:131796 - (
S
)-SKF 38393
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ChEBI Name
(
S
)-SKF 38393
ChEBI ID
CHEBI:131796
ChEBI ASCII Name
(S)-SKF 38393
Definition
A 1-phenyl-2,3,4,5-tetrahydro-1
H
-3-benzazepine-7,8-diol that is the
S
-enantiomer of SKF 38393.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C16H17NO2
Net Charge
0
Average Mass
255.312
Monoisotopic Mass
255.12593
InChI
InChI=1S/C16H17NO2/c18-
15-
8-
12-
6-
7-
17-
10-
14(13(12)
9-
16(15)
19)
11-
4-
2-
1-
3-
5-
11/h1-
5,8-
9,14,17-
19H,6-
7,10H2/t14-
/m0/s1
InChIKey
JUDKOGFHZYMDMF-AWEZNQCLSA-N
SMILES
C1CNC[C@H](C2=C1C=C(C(=C2)O)O)C3=CC=CC=C3
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
S
)-SKF 38393 (
CHEBI:131796
)
is a
1-phenyl-2,3,4,5-tetrahydro-1
H
-3-benzazepine-7,8-diol (
CHEBI:131801
)
(
S
)-SKF 38393 (
CHEBI:131796
)
is conjugate base of
(
S
)-SKF 38393(1+) (
CHEBI:131807
)
(
S
)-SKF 38393 (
CHEBI:131796
)
is enantiomer of
(
R
)-SKF 38393 (
CHEBI:131800
)
Incoming
SKF 38393 (
CHEBI:131793
)
has part
(
S
)-SKF 38393 (
CHEBI:131796
)
(
S
)-SKF 38393(1+) (
CHEBI:131807
)
is conjugate acid of
(
S
)-SKF 38393 (
CHEBI:131796
)
(
R
)-SKF 38393 (
CHEBI:131800
)
is enantiomer of
(
S
)-SKF 38393 (
CHEBI:131796
)
IUPAC Name
(1
S
)-1-phenyl-2,3,4,5-tetrahydro-1
H
-3-benzazepine-7,8-diol
Synonyms
Sources
(1
S
)-2,3,4,5-tetrahydro-1-phenyl-1
H
-3-benzazepine-7,8-diol
ChemIDplus
(
S
)-SKF-38393
ChEBI
Registry Numbers
Types
Sources
5287503
Reaxys Registry Number
Reaxys
81702-43-4
CAS Registry Number
ChemIDplus
Citation
Type
Source
24171673
PubMed citation
Europe PMC
Last Modified
12 April 2021