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Details

Stereochemistry ACHIRAL
Molecular Formula C46H84N12
Molecular Weight 805.2396
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,8-BIS((4-(1,4,8,11-TETRAAZACYCLOTETRADEC-1-YLMETHYL)PHENYL)METHYL)-1,4,8,11-TETRAAZACYCLOTETRADECANE

SMILES

C(N1CCCNCCNCCCNCC1)C2=CC=C(CN3CCCNCCN(CC4=CC=C(CN5CCCNCCNCCCNCC5)C=C4)CCCNCC3)C=C2

InChI

InChIKey=JFXKZZUXCPLCJW-UHFFFAOYSA-N
InChI=1S/C46H84N12/c1-15-47-23-25-49-19-3-31-55(35-27-51-17-1)39-43-7-11-45(12-8-43)41-57-33-5-21-54-30-38-58(34-6-22-53-29-37-57)42-46-13-9-44(10-14-46)40-56-32-4-20-50-26-24-48-16-2-18-52-28-36-56/h7-14,47-54H,1-6,15-42H2

HIDE SMILES / InChI

Molecular Formula C46H84N12
Molecular Weight 805.2396
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 10:36:08 UTC 2023
Edited
by admin
on Sat Dec 16 10:36:08 UTC 2023
Record UNII
39642MM938
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,8-BIS((4-(1,4,8,11-TETRAAZACYCLOTETRADEC-1-YLMETHYL)PHENYL)METHYL)-1,4,8,11-TETRAAZACYCLOTETRADECANE
Systematic Name English
1,4,8,11-TETRAAZACYCLOTETRADECANE, 1,8-BIS((4-(1,4,8,11-TETRAAZACYCLOTETRADEC-1-YLMETHYL)PHENYL)METHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
39642MM938
Created by admin on Sat Dec 16 10:36:08 UTC 2023 , Edited by admin on Sat Dec 16 10:36:08 UTC 2023
PRIMARY
CAS
414858-02-9
Created by admin on Sat Dec 16 10:36:08 UTC 2023 , Edited by admin on Sat Dec 16 10:36:08 UTC 2023
PRIMARY
PUBCHEM
12128672
Created by admin on Sat Dec 16 10:36:08 UTC 2023 , Edited by admin on Sat Dec 16 10:36:08 UTC 2023
PRIMARY
Related Record Type Details
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