CHEBI:201440 - Netropsin Dihydrochloride

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Netropsin Dihydrochloride
ChEBI ID CHEBI:201440
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H26N10O3.ClH.ClH
Net Charge 0
Average Mass 503.390
Monoisotopic Mass 502.17229
InChI InChI=1S/C18H26N10O3.2ClH/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22;;/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24);2*1H
InChIKey SDRHUASONSRLFR-UHFFFAOYSA-N
SMILES Cl.Cl.O=C(NC1=CN(C)C(=C1)C(=O)NCCC(=N)N)C=2N(C=C(C2)NC(=O)CN=C(N)N)C
ChEBI Ontology
Outgoing Netropsin Dihydrochloride (CHEBI:201440) is a aromatic amide (CHEBI:62733)
Netropsin Dihydrochloride (CHEBI:201440) is a heteroarene (CHEBI:33833)
IUPAC Name
N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide;dihydrochloride
Manual Xref Database
19986115 ChemSpider
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