Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73335
- Core Entity Id
- 135984
- Source Entity Count
- 1
- Preferred Name
- Loperamide hydrochloride
- Name En
- Pubchem Id
- 71420
- Smiles Canonical
- CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl
- Molecular Formula
- C29H34Cl2N2O2
- Molecular Weight
- 512.2000
- Inchikey
- PGYPOBZJRVSMDS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.5098
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 43.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Loperamide hydrochloride
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Loperamide hydrochloride
Itcmdb Generated
ITX-INGREDIENT-5227A1277783
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
512.200
Molecular Formula
C29H34Cl2N2O2
Fda Maximum Daily Dose (Fdamdd)
0.920
Quantitative Estimate Of Drug Likeness（Qed）
0.516