Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C53H72N2O12.2C6H5O3S |
| Molecular Weight | 1243.479 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[O-]S(=O)(=O)C1=CC=CC=C1.[O-]S(=O)(=O)C2=CC=CC=C2.COC3=C(OC)C=C(C[C@@H]4C5=CC(OC)=C(OC)C=C5CC[N@+]4(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]6(C)CCC7=CC(OC)=C(OC)C=C7[C@H]6CC8=CC(OC)=C(OC)C=C8)C=C3
InChI
InChIKey=XXZSQOVSEBAPGS-DONVQRBFSA-L
InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2/t42-,43-,54-,55-;;/m1../s1
| Molecular Formula | C53H72N2O12 |
| Molecular Weight | 929.145 |
| Charge | 2 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C6H5O3S |
| Molecular Weight | 157.167 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionCurator's Comment: description was created based on several sources, including www.ncbi.nlm.nih.gov/pubmed/9349062
Curator's Comment: description was created based on several sources, including www.ncbi.nlm.nih.gov/pubmed/9349062
Cisatracurium is a cis-cis isomer of atracurium and five time as potent as atracurium. The drug is approved by FDA and marketed under the name Nimbex. It is indicated as an adjunct to general anesthesia, to facilitate tracheal intubation, and to provide skeletal muscle relaxation due to its antagonistic properties toward nicotinic acetylcholine receptors.
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL2362997 |
54.0 nM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Palliative | NIMBEX Approved UseCisatracurium besylate injection is an intermediate-onset/intermediate-duration neuromuscular blocking agent indicated for inpatients and outpatients as an adjunct to general anesthesia, to facilitate tracheal intubation, and to provide skeletal muscle relaxation during surgery or mechanical ventilation in the ICU. Launch Date1995 |
T1/2
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
22 min |
0.1 mg/kg 1 times / day steady-state, intravenous dose: 0.1 mg/kg route of administration: Intravenous experiment type: STEADY-STATE co-administered: |
CISATRACURIUM unknown | Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN |
Sample Use Guides
The recommended initial doses is 0.2 mg/kg, however it should be individualized. A dose of 0.03 mg/kg is recommended for maintenance of neuromuscular block during prolonged surgical procedures.
Route of Administration:
Intravenous
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:46:47 GMT 2023
by
admin
on
Fri Dec 15 15:46:47 GMT 2023
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| Record UNII |
Y78PS7MEDE
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| Record Status |
Validated (UNII)
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| Record Version |
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Created by
admin on Fri Dec 15 15:46:47 GMT 2023 , Edited by admin on Fri Dec 15 15:46:47 GMT 2023
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Created by
admin on Fri Dec 15 15:46:47 GMT 2023 , Edited by admin on Fri Dec 15 15:46:47 GMT 2023
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PARENT -> SALT/SOLVATE |
