Drug Information

General Information
Drug ID
DR00716
Drug Name
Vecuronium
Synonyms
(2A,3A,5A,16A,17A)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane; (2beta,3alpha,5alpha,16beta,17beta)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane; Norcuron (TN); [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Drug Type
Small molecular drug
Indication Pain [ICD11:MG30-MG7Z] Approved [1]
Spasms [ICD11:MB47.3] Approved [1]
Therapeutic Class
Analgesics
Structure
3D MOL 2D MOL
Formula
C34H57N2O4+
Canonical SMILES
CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C
InChI
InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
InChIKey
BGSZAXLLHYERSY-XQIGCQGXSA-N
CAS Number
CAS 50700-72-6
Pharmaceutical Properties Molecular Weight 557.8 Topological Polar Surface Area 55.8
Heavy Atom Count 40 Rotatable Bond Count 6
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5
XLogP
6.5
PubChem CID
39765
PubChem SID
104332628 ,117550021 ,123097011 ,135065904 ,135962408 ,137241739 ,139157515 ,14837446 ,160964634 ,164153588 ,165698506 ,175266821 ,175442172 ,176484500 ,178100828 ,179150509 ,184664916 ,238570034 ,252811085 ,34705625 ,46507656 ,50112721 ,50621251 ,8176218 ,87246434 ,92309078 ,9756
ChEBI ID
CHEBI:9939
TTD Drug ID
D0Z8HG
DT(s) Transporting This Drug P-GP Transporter Info P-glycoprotein 1 Substrate [2]
References
1 Vecuronium was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Polymorphisms in human MDR1 (P-glycoprotein): recent advances and clinical relevance. Clin Pharmacol Ther. 2004 Jan;75(1):13-33.

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