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Details

Stereochemistry EPIMERIC
Molecular Formula C22H32NO5
Molecular Weight 390.4932
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of SOFPIRONIUM

SMILES

CCOC(=O)C[N+]1(C)CC[C@H](C1)OC(=O)[C@@](O)(C2CCCC2)C3=CC=CC=C3

InChI

InChIKey=SEVCTUCCZYBJER-BSJAROSPSA-N
InChI=1S/C22H32NO5/c1-3-27-20(24)16-23(2)14-13-19(15-23)28-21(25)22(26,18-11-7-8-12-18)17-9-5-4-6-10-17/h4-6,9-10,18-19,26H,3,7-8,11-16H2,1-2H3/q+1/t19-,22+,23?/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H31NO5
Molecular Weight 389.4852
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:22:44 UTC 2023
Edited
by admin
on Sat Dec 16 11:22:44 UTC 2023
Record UNII
00Y6A5AJU6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SOFPIRONIUM
Common Name English
SOFPIRONIUM ION
Code English
BBI-4000 CATION
Code English
PYRROLIDINIUM, 3-(((2R)-2-CYCLOPENTYL-2-HYDROXY-2-PHENYLACETYL)OXY)-1-(2-ETHOXY-2-OXOETHYL)-1-METHYL-, (3R)-
Systematic Name English
SOFPIRONIUM CATION
Common Name English
BBI-4000 ION
Code English
Code System Code Type Description
CAS
1628251-49-9
Created by admin on Sat Dec 16 11:22:44 UTC 2023 , Edited by admin on Sat Dec 16 11:22:44 UTC 2023
PRIMARY
FDA UNII
00Y6A5AJU6
Created by admin on Sat Dec 16 11:22:44 UTC 2023 , Edited by admin on Sat Dec 16 11:22:44 UTC 2023
PRIMARY
PUBCHEM
86301317
Created by admin on Sat Dec 16 11:22:44 UTC 2023 , Edited by admin on Sat Dec 16 11:22:44 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IONIC MOIETY->SUBSTANCE
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY