MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Benztropine mesylate (USP)
Properties
Image
Occurences in reactions
MNX_ID
MNXM103032
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
22
H
29
NO
4
S
charge
0
mass
403.18173
reference
keggD:D00778
InChIKey
CPFJLLXFNPCTDW-STYNFMPRSA-N
InChI
InChI=1S/C21H25NO.CH4O3S/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)/t18-,19-;/m1./s1
SMILES
CN1[C@@H]2CC[C@@H]1CC(OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
kegg.drug:D00778
keggD:D00778
Benztropine mesylate (USP)
Benztropine mesilate (JAN)
Cogentin (TN)
keggD:M_D00778
secondary/obsolete/fantasy identifier