Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73707
- Core Entity Id
- 136356
- Source Entity Count
- 1
- Preferred Name
- Midazolam maleate
- Name En
- Pubchem Id
- 5384200
- Smiles Canonical
- CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F.C(=CC(=O)O)C(=O)O
- Molecular Formula
- C22H17ClFN3O4
- Molecular Weight
- 441.0900
- Inchikey
- XYGVIBXOJOOCFR-BTJKTKAUSA-N
- Inchi
- InChI=1S/C18H13ClFN3.C4H4O4/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;5-3(6)1-2-4(7)8/h2-9H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.0360
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 105.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Midazolam maleate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Midazolam maleate
Itcmdb Generated
ITX-INGREDIENT-7A43093FF0D6
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
441.090
Molecular Formula
C22H17ClFN3O4
Fda Maximum Daily Dose (Fdamdd)
0.996
Quantitative Estimate Of Drug Likeness（Qed）
0.655