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Details

Stereochemistry ACHIRAL
Molecular Formula C28H42N3S.Br
Molecular Weight 532.622
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PPA-904

SMILES

[Br-].CCCCN(CCCC)C1=CC2=[S+]C3=C(C=CC(=C3)N(CCCC)CCCC)N=C2C=C1

InChI

InChIKey=LLMPBOPIZQTTLB-UHFFFAOYSA-M
InChI=1S/C28H42N3S.BrH/c1-5-9-17-30(18-10-6-2)23-13-15-25-27(21-23)32-28-22-24(14-16-26(28)29-25)31(19-11-7-3)20-12-8-4;/h13-16,21-22H,5-12,17-20H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C28H42N3S
Molecular Weight 452.718
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Br
Molecular Weight 79.904
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:13:50 GMT 2025
Edited
by admin
on Wed Apr 02 21:13:50 GMT 2025
Record UNII
H38Y3Y4XLD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Unguentum M
Preferred Name English
PPA-904
Code English
Phenothiazin-5-ium, 3,7-bis(dibutylamino)-, bromide (1:1)
Common Name English
PPA904
Code English
PS42
Code English
PS-42
Code English
Code System Code Type Description
CAS
30189-85-6
Created by admin on Wed Apr 02 21:13:50 GMT 2025 , Edited by admin on Wed Apr 02 21:13:50 GMT 2025
PRIMARY
FDA UNII
H38Y3Y4XLD
Created by admin on Wed Apr 02 21:13:50 GMT 2025 , Edited by admin on Wed Apr 02 21:13:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID70471001
Created by admin on Wed Apr 02 21:13:50 GMT 2025 , Edited by admin on Wed Apr 02 21:13:50 GMT 2025
PRIMARY
PUBCHEM
11713505
Created by admin on Wed Apr 02 21:13:50 GMT 2025 , Edited by admin on Wed Apr 02 21:13:50 GMT 2025
PRIMARY
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