Summary

IMPPAT Phytochemical identifier: IMPHY011830

Phytochemical name: Norpseudoephedrine

Synonymous chemical names:
ephedrine, pseudo, nor, ephedrine, pseudo, nor (+), n-norpseudoephedrine, nor-psi-ephedrine

External chemical identifiers:
CID:162265, ChEMBL:CHEMBL1788114, ChEBI:8104, ZINC:ZINC000000157548, FDASRS:QQ0FVC4PXS, SureChEMBL:SCHEMBL125333

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Chemical structure information

SMILES:
O[C@H](c1ccccc1)[C@H](N)C

InChI:
InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m1/s1

InChIKey:
DLNKOYKMWOXYQA-APPZFPTMSA-N

DeepSMILES:
O[C@H]cccccc6))))))[C@H]N)C

Functional groups:
CN, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenylpropanes

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids

NP-Likeness score: 0.574

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Chemical structure download