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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H55N2O3
Molecular Weight 515.7907
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of DESACETYLVECURONIUM

SMILES

[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](O)[C@H](C[C@]34C)N5CCCCC5)[N+]6(C)CCCCC6

InChI

InChIKey=KHTHYBVBGJQSIO-OOJCLDBCSA-N
InChI=1S/C32H55N2O3/c1-22(35)37-30-28(34(4)17-9-6-10-18-34)20-26-24-12-11-23-19-29(36)27(33-15-7-5-8-16-33)21-32(23,3)25(24)13-14-31(26,30)2/h23-30,36H,5-21H2,1-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H54N2O3
Molecular Weight 514.7828
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:09:32 UTC 2023
Edited
by admin
on Sat Dec 16 08:09:32 UTC 2023
Record UNII
7GJT8823H1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESACETYLVECURONIUM
Common Name English
3-DESACETYLVECURONIUM
Common Name English
VECURONIUM BROMIDE RELATED COMPOUND F CATION
Common Name English
PIPERIDINIUM, 1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-17-(ACETYLOXY)-3-HYDROXY-2-(1-PIPERIDINYL)ANDROSTAN-16-YL)-1-METHYL-
Systematic Name English
ORG-7268 CATION
Code English
VECURONIUM BROMIDE IMPURITY C [EP IMPURITY]
Common Name English
1-(17.BETA.-(ACETYLOXY)-3.ALPHA.-HYDROXY-2.BETA.-(PIPERIDIN-1-YL)-5.ALPHA.-ANDROSTAN-16.BETA.-YL)-1-METHYLPIPERIDINIUM
Systematic Name English
3-HYDROXYVECURONIUM
Common Name English
3-DEACETYLVECURONIUM CATION
Systematic Name English
Code System Code Type Description
FDA UNII
7GJT8823H1
Created by admin on Sat Dec 16 08:09:33 UTC 2023 , Edited by admin on Sat Dec 16 08:09:33 UTC 2023
PRIMARY
PUBCHEM
11849104
Created by admin on Sat Dec 16 08:09:33 UTC 2023 , Edited by admin on Sat Dec 16 08:09:33 UTC 2023
PRIMARY
EPA CompTox
DTXSID40995461
Created by admin on Sat Dec 16 08:09:33 UTC 2023 , Edited by admin on Sat Dec 16 08:09:33 UTC 2023
PRIMARY
CAS
74041-85-3
Created by admin on Sat Dec 16 08:09:33 UTC 2023 , Edited by admin on Sat Dec 16 08:09:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
rarely detected in human plasma; recovered by T-tube in some patients
URINE
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 1.4
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP