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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H54N2O4
Molecular Weight 542.7929
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2.BETA.,16.BETA.-BIS(PIPERIDIN-1-YL)-5.ALPHA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIYL DIACETATE

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)N5CCCCC5)N6CCCCC6

InChI

InChIKey=CSXHRHGXNQSNQW-ZZZJANDJSA-N
InChI=1S/C33H54N2O4/c1-22(36)38-30-19-24-11-12-25-26(33(24,4)21-29(30)35-17-9-6-10-18-35)13-14-32(3)27(25)20-28(31(32)39-23(2)37)34-15-7-5-8-16-34/h24-31H,5-21H2,1-4H3/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H54N2O4
Molecular Weight 542.7929
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:16:30 GMT 2023
Edited
by admin
on Fri Dec 15 15:16:30 GMT 2023
Record UNII
N738KO204J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2.BETA.,16.BETA.-BIS(PIPERIDIN-1-YL)-5.ALPHA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIYL DIACETATE
Common Name English
2.BETA.,16.BETA.-DIPIPERIDINO-5.ALPHA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIOL DIACETATE
Common Name English
PANCURONIUM BROMIDE IMPURITY E [EP IMPURITY]
Common Name English
VECURONIUM BROMIDE RELATED COMPOUND A [USP-RS]
Common Name English
ANDROSTANE-3,17-DIOL, 2,16-DI-1-PIPERIDINYL-, 3,17-DIACETATE, (2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-
Systematic Name English
VECURONIUM BROMIDE RELATED COMPOUND A
USP  
Common Name English
(2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-2,16-BISPIPERIDINO-3,17-DIACETOXY-5-ANDROSTANE
Systematic Name English
VECURONIUM BROMIDE IMPURITY A [EP IMPURITY]
Common Name English
VECURONIUM BROMIDE RELATED COMPOUND A [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
13529-31-2
Created by admin on Fri Dec 15 15:16:30 GMT 2023 , Edited by admin on Fri Dec 15 15:16:30 GMT 2023
PRIMARY
RS_ITEM_NUM
1711166
Created by admin on Fri Dec 15 15:16:30 GMT 2023 , Edited by admin on Fri Dec 15 15:16:30 GMT 2023
PRIMARY
FDA UNII
N738KO204J
Created by admin on Fri Dec 15 15:16:30 GMT 2023 , Edited by admin on Fri Dec 15 15:16:30 GMT 2023
PRIMARY
PUBCHEM
14029441
Created by admin on Fri Dec 15 15:16:30 GMT 2023 , Edited by admin on Fri Dec 15 15:16:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID201133509
Created by admin on Fri Dec 15 15:16:30 GMT 2023 , Edited by admin on Fri Dec 15 15:16:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 0.6
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
UNSPECIFIED
EP