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Ingredient
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Gene Target
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Disease
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Evidence
23,295
trials · metas · refs
Plus 6,743 TCM formulas connecting herbs together
Subject Type: 🌿 Herbs ⚗️ Ingredients 📜 Formulas 🧬 Targets 🏥 Diseases
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⚗️ Ingredient

Ajmaline

Open on HERB 2.0 ↗
1
Clinical Trials
0
Meta-Analyses
1
PubMed References
Top Conditions Studied with Ajmaline
Atrial Fibrillation|Tachycardia, Ventricular|Brugada Syndrom 1
📋 Sample Trials
NCT00702117
Ajmaline Utilization in the Diagnosis and Treatment of Cardiac Arrhythmias
Completed · Phase 4
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
PMID 30947366
Drug Testing in Human-Induced Pluripotent Stem Cell-Derived Cardiomyocytes From a Patient With Short QT Syndrome Type 1
Clin Pharmacol Ther · 2019
⚗️ All Ingredient data fields for Ajmaline
⚗️ Identity
Name
Ajmaline
Aliases / Synonyms
(+)-Ajmaline; 4360-12-7; Ajmalan-17,21-diol, (17R,21a)-; Ajmalin; Cardiorythmine; Gilurytmal; Ignazin; Merabitol; NSC 15627
🧪 Chemistry
Molecular Weight
326.4400
LogP
1.5545
Drug-likeness
0.822
H-Bond Acceptors
4
H-Bond Donors
2
Rotatable Bonds
1
🔬 Structures
Canonical SMILES
CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C
Isomeric SMILES
CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C
InChIKey
CJDRUOGAGYHKKD-RQBLFBSQSA-N
InChI
InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16-,17-,18+,19+,20+/m0/s1
🔗 External References
HERB DB
HBIN014955 ↗
PubChem CID
6100671 ↗
CAS Number
898839 ↗
NPASS
NPC133230
TCMID
784
TCM-ID
7096
🔍 Raw view — every non-empty column on this row (30 fields)
name
Ajmaline
common names
(+)-Ajmaline; 4360-12-7; Ajmalan-17,21-diol, (17R,21a)-; Ajmalin; Cardiorythmine; Gilurytmal; Ignazin; Merabitol; NSC 15627
herb ingredient id
HBIN014955
canonical smiles
CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C
isomeric smiles
CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C
inchi
InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16-,17-,18+,19+,20+/m0/s1
inchikey
CJDRUOGAGYHKKD-RQBLFBSQSA-N
mol wt
326.4400
num h acceptors
4
num h donors
2
mol logp
1.5545
num rotatable bonds
1
drug likeness
0.822
cas id
898839
tcmid ingredient id
784
tcm id ingredient id
7096
pubchem cid
6100671
npass id
NPC133230

📋 Clinical Trials

1 · subject of clinical study
NCT00702117 Ajmaline Utilization in the Diagnosis and Treatment of Cardiac Arrhythmias
→ Atrial Fibrillation|Tachycardia, Ventricular|Bruga

📚 PubMed References

1 · cited research
PMID 30947366 Drug Testing in Human-Induced Pluripotent Stem Cell-Derived Cardiomyocytes From
Clin Pharmacol Ther
How relationships are computed
  • Clinical Trials / Meta-Analyses / References: direct foreign-key link via subject_entity_id (Phase 2d wireup)
  • Formula ↔ Herbs: text bridge via formulas.herbs_in_pinyin matching herbs.pinyin_name
  • Herb ↔ Ingredient: ACTIVE — direct link via herb_ingredients
  • Ingredient ↔ Target: ACTIVE — direct link via ingredient_targets
  • Target ↔ Disease: ACTIVE — direct link via target_health_topics
  • Herb → Target → Disease (full chemical spine): ACTIVE — joins all three link tables