Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 5Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69981
- Core Entity Id
- 132630
- Source Entity Count
- 1
- Preferred Name
- Amiodarone hydrochloride
- Name En
- Pubchem Id
- 441325
- Smiles Canonical
- CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl
- Molecular Formula
- C25H30ClI2NO3
- Molecular Weight
- 681.0000
- Inchikey
- ITPDYQOUSLNIHG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.3580
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 11
- Drug Likeness
- Polar Surface Area
- 42.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Amiodarone hydrochloride
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Amiodarone hydrochloride
Itcmdb Generated
ITX-INGREDIENT-31E588FF3EA3
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
681.000
Molecular Formula
C25H30ClI2NO3
Fda Maximum Daily Dose (Fdamdd)
0.134
Quantitative Estimate Of Drug Likeness（Qed）
0.168