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(Q110907625)
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English
(E/Z)-niperotidine
pair of cis–trans isomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
434.5111
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆N₄O₅S
0 references
canonical SMILES
CN(C)CC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3
0 references
Identifiers
InChI
InChI=1S/C20H26N4O5S/c1-23(2)11-16-4-5-17(29-16)13-30-8-7-21-20(12-24(25)26)22-10-15-3-6-18-19(9-15)28-14-27-18/h3-6,9,12,21-22H,7-8,10-11,13-14H2,1-2H3
0 references
InChIKey
HXRSXEDVVARPHP-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2020-09-01
CAS Registry Number
84845-75-0
2 references
stated in
SciFinder
stated in
CAS Common Chemistry
retrieved
31 December 2022
reference URL
https://commonchemistry.cas.org/detail?cas_rn=84845-75-0
InChIKey
HXRSXEDVVARPHP-UHFFFAOYSA-N
based on heuristic
InChIKey match
ChemSpider ID
34988786
0 references
PubChem CID
66753191
0 references
ChEBI ID
135706
mapping relation type
exact match
2 references
stated in
ChEBI release 2019-10-02
stated in
ChEBI release 2021-03-01
UniChem compound ID
27304081
1 reference
stated in
UniChem
UNII
12JBD7U72K
0 references
Probes And Drugs ID
PD072526
0 references
DrugCentral ID
4002
1 reference
stated in
UniChem
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