U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C44H50N6O2
Molecular Weight 694.9068
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 2

SHOW SMILES / InChI
Structure of EXEPORFINIUM

SMILES

C[N+](C)(C)CCCOC1=CC=C(C=C1)C2=C3C=CC(C=C4NC(C=C4)=C(C5=NC(C=C5)=CC6=CC=C2N6)C7=CC=C(OCCC[N+](C)(C)C)C=C7)=N3

InChI

InChIKey=KZTXNPVFWHWJSH-OPFFBBNOSA-N
InChI=1S/C44H50N6O2/c1-49(2,3)25-7-27-51-37-17-9-31(10-18-37)43-39-21-13-33(45-39)29-35-15-23-41(47-35)44(42-24-16-36(48-42)30-34-14-22-40(43)46-34)32-11-19-38(20-12-32)52-28-8-26-50(4,5)6/h9-24,29-30,45,48H,7-8,25-28H2,1-6H3/q+2/b33-29-,34-30-,35-29-,36-30-,43-39-,43-40-,44-41-,44-42-

HIDE SMILES / InChI
Molecular Formula C44H52N6O2
Molecular Weight 696.9227
Charge 2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:13:13 UTC 2023
Edited
by admin
on Sat Dec 16 05:13:13 UTC 2023
Record UNII
R41ECT47G6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EXEPORFINIUM
Common Name English
1-PROPANAMINIUM, 3,3'-(21H,23H-PORPHINE-5,15-DIYLBIS(4,1-PHENYLENEOXY))BIS(N,N,N-TRIMETHYL-
Common Name English
EXEPORFINIUM CATION
Common Name English
EXEPORFINIUM ION
Common Name English
3,3'-(21H,23H-PORPHYRIN-5,15-DIYLBIS(((4,1-PHENYLENE)OXY)-N,N,N-TRIMETHYLPROPAN-1-AMINIUM))
Common Name English
Code System Code Type Description
FDA UNII
R41ECT47G6
Created by admin on Sat Dec 16 05:13:14 UTC 2023 , Edited by admin on Sat Dec 16 05:13:14 UTC 2023
PRIMARY
PUBCHEM
9918583
Created by admin on Sat Dec 16 05:13:14 UTC 2023 , Edited by admin on Sat Dec 16 05:13:14 UTC 2023
PRIMARY
CAS
756818-36-7
Created by admin on Sat Dec 16 05:13:14 UTC 2023 , Edited by admin on Sat Dec 16 05:13:14 UTC 2023
PRIMARY
Related Record Type Details
Structure of EXEPORFINIUM CHLORIDE
SALT/SOLVATE -> PARENT
PSEUDOMONAS AERUGINOSA
TARGET ORGANISM->INHIBITOR
PROPIONIBACTERIUM ACNES
TARGET ORGANISM->INHIBITOR
ACINETOBACTER BAUMANNII
TARGET ORGANISM->INHIBITOR
STENOTROPHOMONAS MALTOPHILIA
TARGET ORGANISM->INHIBITOR
MORAXELLA CATARRHALIS
TARGET ORGANISM->INHIBITOR
METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS
TARGET ORGANISM->INHIBITOR
STAPHYLOCOCCUS AUREUS
TARGET ORGANISM->INHIBITOR
LISTERIA MONOCYTOGENES
TARGET ORGANISM->INHIBITOR
PREVOTELLA INTERMEDIA
TARGET ORGANISM->INHIBITOR
HAEMOPHILUS INFLUENZAE
TARGET ORGANISM->INHIBITOR
Related Record Type Details
Structure of EXEPORFINIUM
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966