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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H49N2O4
Molecular Weight 525.7425
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 3-KETO-1-ENEROCURONIUM

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])CC(=O)C(=C[C@]34C)N5CCOCC5)[N+]6(CC=C)CCCC6

InChI

InChIKey=QFPBHOJKCUAMIE-KRJYAXRVSA-N
InChI=1S/C32H49N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,21,23-26,28,30H,1,6-20H2,2-4H3/q+1/t23-,24+,25-,26-,28-,30-,31-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H49N2O4
Molecular Weight 525.7425
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:08:30 UTC 2023
Edited
by admin
on Sat Dec 16 11:08:30 UTC 2023
Record UNII
F1Q21TX2CD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-KETO-1-ENEROCURONIUM
Common Name English
1-(17.BETA.-(ACETYLOXY)-2-(MORPHOLIN-4-YL)-3-OXO-5.ALPHA.-ANDROST-1-EN-16.BETA.-YL)-1-(PROP-2-ENYL)PYRROLIDINIUM
Systematic Name English
ROCURONIUM BROMIDE IMPURITY H [EP IMPURITY]
Common Name English
ROCURONIUM RELATED COMPOUND H [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
129896736
Created by admin on Sat Dec 16 11:08:30 UTC 2023 , Edited by admin on Sat Dec 16 11:08:30 UTC 2023
PRIMARY
FDA UNII
F1Q21TX2CD
Created by admin on Sat Dec 16 11:08:30 UTC 2023 , Edited by admin on Sat Dec 16 11:08:30 UTC 2023
PRIMARY
CAS
942983-85-9
Created by admin on Sat Dec 16 11:08:30 UTC 2023 , Edited by admin on Sat Dec 16 11:08:30 UTC 2023
PRIMARY
Related Record Type Details
IONIC MOIETY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP