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Gallamine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical structure
Gallamine.svg
2,097 × 1,164; 10 KB
0 references
mass
423.3460923
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₄₅N₃O₃
0 references
canonical SMILES
CCN(CC)CCOc1cccc(OCCN(CC)CC)c1OCCN(CC)CC
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Identifiers
InChI
InChI=1S/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3
0 references
InChIKey
ICLWTJIMXVISSR-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2020-09-01
CAS Registry Number
153-76-4
1 reference
InChIKey
ICLWTJIMXVISSR-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=153-76-4
ChemSpider ID
60750
0 references
PubChem CID
67425
1 reference
matched by identifier from
InChIKey
InChIKey
ICLWTJIMXVISSR-UHFFFAOYSA-N
ChEBI ID
503442
mapping relation type
exact match
2 references
stated in
ChEBI release 2019-10-02
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3
SureChEMBL ID
SCHEMBL2138
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ICLWTJIMXVISSR-UHFFFAOYSA-N
UniChem compound ID
378449
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60165184
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
ICLWTJIMXVISSR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID3087675
0 references
RxNorm ID
4638
0 references
DrugBank ID
13584
1 reference
stated in
DrugBank
DrugBank ID
13584
retrieved
6 July 2021
quotation
CAS no.: 153-76-4
(English)
title
Gallamine
(English)
DB13584
1 reference
matched by identifier from
InChIKey
InChIKey
ICLWTJIMXVISSR-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0252596
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ICLWTJIMXVISSR-UHFFFAOYSA-N
UNII
1146X1WTNM
1 reference
matched by identifier from
InChIKey
InChIKey
ICLWTJIMXVISSR-UHFFFAOYSA-N
Probes And Drugs ID
PD055483
0 references
IEDB Epitope ID
120372
1 reference
stated in
Immune Epitope Database and Analysis Resource
IEDB Epitope ID
120372
retrieved
1 March 2022
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