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Details

Stereochemistry MIXED
Molecular Formula C38H42N4O8
Molecular Weight 682.7621
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEMATOPORPHYRIN DIACETATE

SMILES

CC(OC(C)=O)C1=C(C)C2=CC3=C(C(C)OC(C)=O)C(C)=C(N3)C=C4N=C(C=C5NC(=CC1=N2)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C

InChI

InChIKey=MLWIIVWLZZOCIY-ILFHFRMNSA-N
InChI=1S/C38H42N4O8/c1-17-25(9-11-35(45)46)31-16-32-26(10-12-36(47)48)18(2)28(40-32)14-33-38(22(6)50-24(8)44)20(4)30(42-33)15-34-37(21(5)49-23(7)43)19(3)29(41-34)13-27(17)39-31/h13-16,21-22,40-41H,9-12H2,1-8H3,(H,45,46)(H,47,48)/b27-13-,28-14-,29-13-,30-15-,31-16-,32-16-,33-14-,34-15-

HIDE SMILES / InChI

Molecular Formula C38H42N4O8
Molecular Weight 682.7621
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:55:14 GMT 2023
Edited
by admin
on Fri Dec 15 18:55:14 GMT 2023
Record UNII
TB1M7XU0G5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEMATOPORPHYRIN DIACETATE
Common Name English
DIACETYLHEMATOPORPHYRIN IX
Common Name English
21H,23H-PORPHINE-2,18-DIPROPANOIC ACID, 7,12-BIS(1-(ACETYLOXY)ETHYL)-3,8,13,17-TETRAMETHYL-
Common Name English
HEMATOPORPHYRIN IX DIACETATE
Common Name English
O,O'-DIACETYLHEMATOPORPHYRIN
Common Name English
Code System Code Type Description
FDA UNII
TB1M7XU0G5
Created by admin on Fri Dec 15 18:55:14 GMT 2023 , Edited by admin on Fri Dec 15 18:55:14 GMT 2023
PRIMARY
CAS
69423-76-3
Created by admin on Fri Dec 15 18:55:14 GMT 2023 , Edited by admin on Fri Dec 15 18:55:14 GMT 2023
PRIMARY