Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00536
|
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| Drug Name |
Tubocurarine
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| Synonyms |
(+)-Tubocurarine; (+)-Tubocurarine chloride; (+)-Tubocurarine chloride hydrochloride; 2,2',2'-trimethyl-6,6'-bis(methyloxy)tubocuraran-2,2'-diium-7',12'-diol dichloride; 7',12'-Dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium; 7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium; Amelizol; Chlorure de tubocurarine; Chlorure de tubocurarine [INN-French]; Cloruro de tubocurarina; Cloruro de tubocurarina [INN-Spanish]; Curarin-haf; D-(+)-Tubocurarine chloride; D-7',12'-Dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium chloride; D-Paracurarine chloride; D-Tubocurarine; D-Tubocurarine chloride; D-Tubocurarine dichloride; D-Tubocurarine hydrochloride; Delacurarine; Delacurarine (TN); Dextrotubocurarine chloride; Intocostrine T; Isoquinoline alkaloid; Jex (TN); Jexin; Metubine (TN); Tubadil; Tubaine; Tubaine (TN); Tubarine; Tubarine (TN); Tubocuraranium, 7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyl-, chloride, hydrochloride; Tubocurarin; Tubocurarina cloruro; Tubocurarina cloruro [DCIT]; Tubocurarine chloride; Tubocurarine chloride (INN); Tubocurarine chloride (TN); Tubocurarine chloride (anhydrous); Tubocurarine hydrochloride; Tubocurarine, chloride, hydrochloride, (+)-(8CI); Tubocurarini chloridum; Tubocurarini chloridum [INN-Latin]; Tubocurarinum; Tubocurarinum (TN)
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| Drug Type |
Small molecular drug
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| Indication | Anesthesia [ICD11:MB40.3, MB40.8] | Approved | [1] | |||
| Smoking withdrawl syndrom [ICD11:6C4A.2] | Approved | [1] | ||||
| Therapeutic Class |
Neuromuscular Nondepolarizing Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C37H41N2O6+
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| Canonical SMILES |
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC
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| InChI |
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1
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| InChIKey |
JFJZZMVDLULRGK-URLMMPGGSA-O
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| CAS Number |
CAS 6989-98-6
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| Pharmaceutical Properties | Molecular Weight | 609.7 | Topological Polar Surface Area | 80.6 | ||
| Heavy Atom Count | 45 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
6
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| PubChem CID | ||||||
| PubChem SID |
104037209
,104310830
,11341746
,11361929
,11364928
,11367490
,11370052
,11372089
,11375402
,11378222
,11485225
,11487331
,11489151
,11490910
,11493736
,11495780
,115001452
,115001455
,11537649
,124892413
,134337662
,134453346
,134971353
,135652723
,135890516
,136948051
,137003129
,142970979
,15217798
,160845901
,160964532
,164153589
,17425509
,175443878
,26756599
,29225014
,46505279
,47736639
,47959927
,47959928
,48035288
,50070796
,50123130
,53789134
,57323106
,598405
,79261593
,7979097
,92308722
,9750
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| ChEBI ID |
ChEBI:9774
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 1-Oct | Transporter Info | Organic cation transporter 1 | Substrate | [2] | |
| References | ||||||
| 1 | Tubocurarine was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007. | |||||
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