MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

pirenzepine

	Properties	Image
MNX_ID	MNXM108008
reference	chebi:8247
formula	C₁₉H₂₁N₅O₂
global charge	0
mol weight	351.41
InChIKey	RMHMFHUVIITRHF-UHFFFAOYSA-N
InChI	InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
SMILES	CN1CCN(CC(=O)N2C3=CC=CC=C3C(=O)NC3=CC=CN=C32)CC1

MNX internals

InChI (mnx)	InChI=1/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
SMILES (mnx)	[CH3:1][N:22]1[CH2:9][CH2:11][N:23]([CH2:13][C:17]([N:24]2[C:16]3=[CH:7][CH:3]=[CH:2][CH:5]=[C:14]3[C:19]([OH:26])=[N:21][C:15]3=[C:18]2[N:20]=[CH:8][CH:4]=[CH:6]3)=[O:25])[CH2:12][CH2:10]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:8247 chebi:8247 RMHMFHUVIITRHF-UHFFFAOYSA-N	pirenzepine 11-((4-Methyl-1-piperazinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one 11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one pirenzepina pirenzepinum
seed.compound:cpd04678 seedM:cpd04678 kegg.compound:C07508 keggC:C07508 RMHMFHUVIITRHF-UHFFFAOYSA-N RMHMFHUVIITRHF-UHFFFAOYSA-O	Pirenzepine
kegg.drug:D08389 keggD:D08389 RMHMFHUVIITRHF-UHFFFAOYSA-N	Pirenzepine (USAN/INN)
hmdb:HMDB0014808 RMHMFHUVIITRHF-UHFFFAOYSA-N	Pirenzepine 11-((4-Methyl-1-piperazinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one 2-[2-(4-methylpiperazin-1-yl)acetyl]-2,4,9-triazatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one Azupharma brand OF pirenzepine dihydrochloride Boehringer ingelheim brand OF pirenzepine dihydrochloride CT-Arzneimittel brand OF pirenzepine dihydrochloride Dihydrochloride, pirenzepine Dolorgiet brand OF pirenzepine dihydrochloride Gastrotsepin Gastrozepin L-S 519 Piren basan Piren-basan Pirenzepin Pirenzepin ratiopharm Pirenzepin von CT Pirenzepin-ratiopharm Pirenzepina Pirenzepine dihydrochloride Pirenzepinum Pyrenzepine Ratiopharm brand OF pirenzepine dihydrochloride Sagitta brand OF pirenzepine dihydrochloride Ulcoprotect Ulgescum Von CT, pirenzepin pirenzepine
hmdb:HMDB14808 keggC:M_C07508 keggD:M_D08389 seedM:M_cpd04678	secondary/obsolete/fantasy identifier