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Details

Stereochemistry ACHIRAL
Molecular Formula C44H34N4O4
Molecular Weight 682.7652
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SQN-400

SMILES

OC1=CC(=CC=C1)C2=C3NC(C=C3)=C(C4=NC(CC4)=C(C5=CC=C(N5)C(=C6CCC2=N6)C7=CC=CC(O)=C7)C8=CC(O)=CC=C8)C9=CC=CC(O)=C9

InChI

InChIKey=JGRCJAZOAGUZAY-LWQDQPMZSA-N
InChI=1S/C44H34N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-13,15,18,20-24,45,48-52H,14,16-17,19H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-

HIDE SMILES / InChI

Molecular Formula C44H34N4O4
Molecular Weight 682.7652
Charge 0
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 Sat Dec 16 01:40:43 GMT 2023
Edited
by admin
on Sat Dec 16 01:40:43 GMT 2023
Record UNII
28G2RW9QU8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SQN-400
Code English
PHENOL, 3,3',3'',3'''-(7,8,17,18-TETRAHYDRO-21H,23H-PORPHINE-5,10,15,20-TETRAYL)TETRAKIS-
Systematic Name English
3-((1Z,5Z,9Z,14Z)-10,15,20-TRIS(3-HYDROXYPHENYL)-2,3,12,13,22,24-HEXAHYDROPORPHYRIN-5-YL)PHENOL
Systematic Name English
MTHPBC
Common Name English
5,10,15,20-TETRAKIS(M-HYDROXYPHENYL)BACTERIOCHLORIN
Systematic Name English
3,3',3'',3'''-(7,8,17,18-TETRAHYDRO-21H,23H-PORPHINE-5,10,15,20-TETRAYL)TETRAKIS(PHENOL)
Systematic Name English
M-THPBC
Common Name English
SQN400
Code English
Code System Code Type Description
CAS
122341-39-3
Created by admin on Sat Dec 16 01:40:43 GMT 2023 , Edited by admin on Sat Dec 16 01:40:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID401224451
Created by admin on Sat Dec 16 01:40:43 GMT 2023 , Edited by admin on Sat Dec 16 01:40:43 GMT 2023
PRIMARY
FDA UNII
28G2RW9QU8
Created by admin on Sat Dec 16 01:40:43 GMT 2023 , Edited by admin on Sat Dec 16 01:40:43 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY