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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H55N2O4
Molecular Weight 555.8115
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3,17-BIS(ACETYLOXY)-2-(1-PYRROLIDINYL)ANDROSTAN-16-YL)-1-(2-PROPEN-1-YL)PYRROLIDINIUM

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](OC(C)=O)[C@H](C[C@]34C)N5CCCC5)[N+]6(CC=C)CCCC6

InChI

InChIKey=ZBERWBSQQIKWNH-XQIGCQGXSA-N
InChI=1S/C34H55N2O4/c1-6-17-36(18-9-10-19-36)30-21-28-26-12-11-25-20-31(39-23(2)37)29(35-15-7-8-16-35)22-34(25,5)27(26)13-14-33(28,4)32(30)40-24(3)38/h6,25-32H,1,7-22H2,2-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1

HIDE SMILES / InChI
Molecular Formula C34H55N2O4
Molecular Weight 555.8115
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:08:30 GMT 2023
Edited
by admin
on Sat Dec 16 11:08:30 GMT 2023
Record UNII
H51ZB97DB1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3,17-BIS(ACETYLOXY)-2-(1-PYRROLIDINYL)ANDROSTAN-16-YL)-1-(2-PROPEN-1-YL)PYRROLIDINIUM
Systematic Name English
1-(3.ALPHA.,17.BETA.-BIS(ACETYLOXY)-2.BETA.-(PYRROLIDIN-1-YL)-5.ALPHA.-ANDROSTAN-16.BETA.-YL)-1-(PROP-2-ENYL)PYRROLIDINIUM
Systematic Name English
ROCURONIUM RELATED COMPOUND F [USP IMPURITY]
Common Name English
ROCURONIUM BROMIDE IMPURITY F [EP IMPURITY]
Common Name English
PYRROLIDINIUM, 1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3,17-BIS(ACETYLOXY)-2-(1-PYRROLIDINYL)ANDROSTAN-16-YL)-1-(2-PROPEN-1-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
129896734
Created by admin on Sat Dec 16 11:08:30 GMT 2023 , Edited by admin on Sat Dec 16 11:08:30 GMT 2023
PRIMARY
CAS
942983-84-8
Created by admin on Sat Dec 16 11:08:30 GMT 2023 , Edited by admin on Sat Dec 16 11:08:30 GMT 2023
PRIMARY
FDA UNII
H51ZB97DB1
Created by admin on Sat Dec 16 11:08:30 GMT 2023 , Edited by admin on Sat Dec 16 11:08:30 GMT 2023
PRIMARY
Related Record Type Details
Structure of 1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3,17-BIS(ACETYLOXY)-2-(1-PYRROLIDINYL)ANDROSTAN-16-YL)-1-(2-PROPEN-1-YL)PYRROLIDINIUM
IONIC MOIETY
Related Record Type Details
Structure of ROCURONIUM BROMIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of ROCURONIUM BROMIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
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