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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H37NO2
Molecular Weight 359.5454
Optical Activity ( + )
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2.ALPHA.,3.ALPHA.-EPOXY-16.BETA.-(1-PYRROLIDINYL)-5.ALPHA.-ANDROSTAN-17.BETA.-OL

SMILES

[H][C@]12C[C@]3([H])CC[C@@]4([H])[C@]5([H])C[C@@]([H])([C@H](O)[C@@]5(C)CC[C@]4([H])[C@@]3(C)C[C@@]1([H])O2)N6CCCC6

InChI

InChIKey=OPYVYACKKDTREB-NXECLLCESA-N
InChI=1S/C23H37NO2/c1-22-8-7-16-15(6-5-14-11-19-20(26-19)13-23(14,16)2)17(22)12-18(21(22)25)24-9-3-4-10-24/h14-21,25H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,19-,20+,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H37NO2
Molecular Weight 359.5454
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 Sat Dec 16 18:09:28 GMT 2023
Edited
by admin
on Sat Dec 16 18:09:28 GMT 2023
Record UNII
QY44AP6HZH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2.ALPHA.,3.ALPHA.-EPOXY-16.BETA.-(1-PYRROLIDINYL)-5.ALPHA.-ANDROSTAN-17.BETA.-OL
Systematic Name English
ROCURONIUM IMPURITY 2
Common Name English
(2.ALPHA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-2,3-EPOXY-16-(1-PYRROLIDINYL)ANDROSTAN-17-OL
Systematic Name English
ANDROSTAN-17-OL, 2,3-EPOXY-16-(1-PYRROLIDINYL)-, (2.ALPHA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
QY44AP6HZH
Created by admin on Sat Dec 16 18:09:28 GMT 2023 , Edited by admin on Sat Dec 16 18:09:28 GMT 2023
PRIMARY
CAS
119302-19-1
Created by admin on Sat Dec 16 18:09:28 GMT 2023 , Edited by admin on Sat Dec 16 18:09:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID201174294
Created by admin on Sat Dec 16 18:09:28 GMT 2023 , Edited by admin on Sat Dec 16 18:09:28 GMT 2023
PRIMARY
PUBCHEM
16063872
Created by admin on Sat Dec 16 18:09:28 GMT 2023 , Edited by admin on Sat Dec 16 18:09:28 GMT 2023
PRIMARY