Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 4Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73203
- Core Entity Id
- 135852
- Source Entity Count
- 1
- Preferred Name
- Levothyroxine sodium
- Name En
- Pubchem Id
- 23666112
- Smiles Canonical
- C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)[O-])N.[Na+]
- Molecular Formula
- C15H10I4NNaO4
- Molecular Weight
- 798.6700
- Inchikey
- YDTFRJLNMPSCFM-YDALLXLXSA-M
- Inchi
- InChI=1S/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1/t12-;/m0./s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.2266
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 95.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Levothyroxine sodium
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Levothyroxine sodium
Itcmdb Generated
ITX-INGREDIENT-5BFA6823D13A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
798.670
Molecular Formula
C15H10I4NNaO4
Fda Maximum Daily Dose (Fdamdd)
0.947
Quantitative Estimate Of Drug Likeness（Qed）
0.456