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physostigmine

PropertiesImage
MNX_IDMNXM12688 Image of MNXM12688
referencechebi:27953
formulaC15H21N3O2
global charge0
mol weight275.352
InChIKeyPIJVFDBKTWXHHD-HIFRSBDPSA-N
InChIInChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
SMILESCNC(=O)OC1=CC2=C(C=C1)N(C)[C@H]1N(C)CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 Image of MNXM12688
SMILES (mnx)[CH3:1][C@@:15]12[CH2:7][CH2:8][N:17]([CH3:3])[C@@H:13]1[N:18]([CH3:4])[C:12]1=[C:11]2[CH:9]=[C:10]([O:20][C:14](=[N:16][CH3:2])[OH:19])[CH:5]=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:27953
chebi:27953
PIJVFDBKTWXHHD-HIFRSBDPSA-N 		physostigmine
(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate
Antilirium
Eserine
Physostigmine
Physostol

kegg.drug:D00196
keggD:D00196
PIJVFDBKTWXHHD-HIFRSBDPSA-N 		Physostigmine (USP)
Eserine (TN)
hmdb:HMDB0015116
PIJVFDBKTWXHHD-HIFRSBDPSA-N 		Physostigmine
(3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate
Antilirium
Erserine
Eserine
Eserine sulfate
Eserolein, methylcarbamate
Physostol
physostigmine

seed.compound:cpd03944
seedM:cpd03944
PIJVFDBKTWXHHD-HIFRSBDPSA-N 		Physostigmine
Antilirium
Calabarine
Erserine
Eserine
Esromiotin
Ezerin
Fysostigmin
Physostol
eserine
physostigmine

kegg.compound:C06535
keggC:C06535
PIJVFDBKTWXHHD-HIFRSBDPSA-N 		Physostigmine
Eserine

metacyc.compound:CPD-12048
metacycM:CPD-12048
PIJVFDBKTWXHHD-HIFRSBDPSA-N 		eserine
Antilirium
Calabarine
Erserine
Esromiotin
Ezerin
Fysostigmin
Physostol
physostigmine

hmdb:HMDB15116
chebi:26108
chebi:8187
keggC:M_C06535
keggD:M_D00196
seedM:M_cpd03944 		secondary/obsolete/fantasy identifier