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

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(S)-nitrendipine

	Properties	Image
MNX_ID	MNXM64699
reference	chebi:135522
formula	C₁₈H₂₀N₂O₆
global charge	0
mol weight	360.366
InChIKey	PVHUJELLJLJGLN-INIZCTEOSA-N
InChI	InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3/t16-/m0/s1
SMILES	CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1C1=CC([N+](=O)[O-])=CC=C1

MNX internals

InChI (mnx)	InChI=1/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3/t16-/m0/s1
SMILES (mnx)	[CH3:1][CH2:5][O:26][C:18]([C:15]1=[C:11]([CH3:3])[NH:19][C:10]([CH3:2])=[C:14]([C:17](=[O:21])[O:25][CH3:4])[C@@H:16]1[C:12]1=[CH:9][C:13]([N+:20]([O-:23])=[O:24])=[CH:8][CH:6]=[CH:7]1)=[O:22]

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:135522 chebi:135522 PVHUJELLJLJGLN-INIZCTEOSA-N	(S)-nitrendipine (-)-Nitrendipine
seed.compound:cpd04849 seedM:cpd04849 kegg.compound:C07713 keggC:C07713 PVHUJELLJLJGLN-UHFFFAOYSA-N	Nitrendipine
kegg.drug:D00629 keggD:D00629 PVHUJELLJLJGLN-UHFFFAOYSA-N	Nitrendipine (JP18/USAN/INN) Baypress (TN)
hmdb:HMDB0015187 PVHUJELLJLJGLN-UHFFFAOYSA-N	Nitrendipine 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate ethyl methyl ester 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid ethyl methyl ester 1a Brand OF nitrendipine 1a Pharma, nitren 3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate AL, nitrendipin AbZ brand OF nitrendipine AbZ, nitre Acis brand OF nitrendipine Acis, nitren Aliud brand OF nitrendipine Almirall brand OF nitrendipine Alpharma brand OF nitrendipine Apogepha brand OF nitrendipine Apogepha, nitrendipin Atid, nitrendipin Azupharma brand OF nitrendipine BAY e 5009 BC Brand OF nitrendipine Balminil Basics brand OF nitrendipine Basics, nitrendipin Bayer brand OF nitrendipine Bayotensin Baypresol Baypress Bayvit brand OF nitrendipine Bayvit, nitrendipino Betapharm brand OF nitrendipine Biochemie, nitrendi Biomed brand OF nitrendipine Bylotensin CT Arzneimittel brand OF nitrendipine CT, Nitrendipin von CT-Arzneimittel brand OF nitrendipine Corax brand OF nitrendipine Deiten Dexcel brand OF nitrendipine Docpharm brand OF nitrendipine Elan brand OF nitrendipine Elfar brand OF nitrendipine Gericin Heumann brand OF nitrendipine Heumann, nitrendipin Hexal brand OF nitrendipine Jenapharm brand OF nitrendipine Jenapharm, nitrendipin Juta brand OF nitrendipine Jutapress KSK Pharma brand OF nitrendipine KSK, Nitrend Lich, nitren Lichtenstein brand OF nitrendipine Lindo, nitrendipin Lindopharm brand OF nitrendipine Merck dura brand OF nitrendipine Nidrel Niprina Nitre abz Nitre puren Nitre-puren NitrePuren Nitregamma Nitren 1a pharma Nitren acis Nitren lich Nitrend KSK Nitrendepat Nitrendi biochemie Nitrendidoc Nitrendimerck Nitrendipin Nitrendipin al Nitrendipin apogepha Nitrendipin atid Nitrendipin basics Nitrendipin beta Nitrendipin corax Nitrendipin heumann Nitrendipin jenapharm Nitrendipin lindo Nitrendipin ratiopharm Nitrendipin stada Nitrendipin von CT Nitrendipin-corax Nitrendipin-ratiopharm Nitrendipincorax Nitrendipine 1a brand Nitrendipine BC brand Nitrendipine CT-arzneimittel brand Nitrendipine Q-pharm brand Nitrendipine abz brand Nitrendipine acis brand Nitrendipine aliud brand Nitrendipine almirall brand Nitrendipine alpharma brand Nitrendipine apogepha brand Nitrendipine azupharma brand Nitrendipine basics brand Nitrendipine bayer brand Nitrendipine bayvit brand Nitrendipine betapharm brand Nitrendipine biomed brand Nitrendipine corax brand Nitrendipine dexcel brand Nitrendipine docpharm brand Nitrendipine elan brand Nitrendipine elfar brand Nitrendipine heumann brand Nitrendipine hexal brand Nitrendipine jenapharm brand Nitrendipine juta brand Nitrendipine lichtenstein brand Nitrendipine lindopharm brand Nitrendipine ratiopharm brand Nitrendipine schwarz brand Nitrendipine seid brand Nitrendipine stadapharm brand Nitrendipine tad brand Nitrendipine woerwag brand Nitrendipino Nitrendipino bayvit Nitrendipino ratiopharm Nitrendipinratiopharm Nitrendipinum Nitrensal Nitrepress Pharma, nitren 1a Prevision y salud brand OF nitrendipine Q-Pharm brand OF nitrendipine Ratiopharm brand OF nitrendipine Ratiopharm, nitrendipino Schwarz brand OF nitrendipine Seid brand OF nitrendipine Stada, nitrendipin Stadapharm brand OF nitrendipine TAD brand OF nitrendipine Tensogradal Trendinol Vastensium Von CT, nitrendipin Woerwag brand OF nitrendipine beta, Nitrendipin nitrendipine
reactome:R-ALL-9614132 reactomeM:R-ALL-9614132 CHEBI:7582 chebi:7582 PVHUJELLJLJGLN-UHFFFAOYSA-N	nitrendipine 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid ethyl methyl ester BAY e 5009 Bayotensin Baypress Bylotensin Deiten Nidrel ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate nitrendipino nitrendipinum
hmdb:HMDB15187 keggC:M_C07713 keggD:M_D00629 seedM:M_cpd04849	secondary/obsolete/fantasy identifier