Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:135845 - rapacuronium
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
rapacuronium
ChEBI ID
CHEBI:135845
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C37H61N2O4
Net Charge
+1
Average Mass
597.893
Monoisotopic Mass
597.46258
InChI
InChI=1S/C37H61N2O4/c1-
6-
20-
39(21-
12-
9-
13-
22-
39)
32-
24-
30-
28-
15-
14-
27-
23-
33(42-
26(3)
40)
31(38-
18-
10-
8-
11-
19-
38)
25-
37(27,5)
29(28)
16-
17-
36(30,4)
35(32)
43-
34(41)
7-
2/h6,27-
33,35H,1,7-
25H2,2-
5H3/q+1/t27-
,28+,29-
,30-
,31-
,32-
,33-
,35-
,36-
,37-
/m0/s1
InChIKey
HTIKWNNIPGXLGM-YLINKJIISA-N
SMILES
C(C=C)
[N+]
1(CCCCC1)
[C@@H]
2[C@H]
(OC(CC)
=O)
[C@@]
3([C@@]
(C2)
([C@]
4([C@]
(CC3)
([C@]
5(C)
[C@@]
(CC4)
(C[C@@H]
([C@H]
(C5)
N6CCCCC6)
OC(C)
=O)
[H]
)
[H]
)
[H]
)
[H]
)
C
ChEBI Ontology
Outgoing
rapacuronium (
CHEBI:135845
)
is a
steroid ester (
CHEBI:47880
)
Synonyms
Sources
Org 9487
DrugCentral
Org-9487
DrugCentral
Org9487
DrugCentral
rapacuronium bromide
DrugCentral
raplon
DrugCentral
Manual Xref
Database
3520
DrugCentral
View more database links
Registry Number
Type
Source
156137-99-4
CAS Registry Number
DrugCentral
Last Modified
23 February 2017