Details
Stereochemistry | ACHIRAL |
Molecular Formula | C32H48N4O4.Ga.I |
Molecular Weight | 747.5804 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Charge | 0 |
Stereo Comments | AXIAL, UNKNOWN |
SHOW SMILES / InChI
SMILES
[68Ga+3].[I-].CC(C)OC1=C([O-])C(C=NCC(C)(C)CNCCNCC(C)(C)CN=CC2=CC=CC(OC(C)C)=C2[O-])=CC=C1
InChI
InChIKey=FDGRAHASSGZIRO-LEDNNGLLSA-K
InChI=1S/C32H50N4O4.Ga.HI/c1-23(2)39-27-13-9-11-25(29(27)37)17-35-21-31(5,6)19-33-15-16-34-20-32(7,8)22-36-18-26-12-10-14-28(30(26)38)40-24(3)4;;/h9-14,17-18,23-24,33-34,37-38H,15-16,19-22H2,1-8H3;;1H/q;+3;/p-3/b35-17+,36-18+;;/i;1-2;
Molecular Formula | C32H48N4O4 |
Molecular Weight | 552.7479 |
Charge | -2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Optical Activity | NONE |
Molecular Formula | I |
Molecular Weight | 126.9045 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | Ga |
Molecular Weight | 67.928 |
Charge | 3 |
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
Edited
Sat Dec 16 18:28:36 GMT 2023
by
admin
on
Sat Dec 16 18:28:36 GMT 2023
|
Record UNII |
4PJX596UYL
|
Record Status |
Validated (UNII)
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Record Version |
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-
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60164010
Created by
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1393486-96-8
Created by
admin on Sat Dec 16 18:28:36 GMT 2023 , Edited by admin on Sat Dec 16 18:28:36 GMT 2023
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4PJX596UYL
Created by
admin on Sat Dec 16 18:28:36 GMT 2023 , Edited by admin on Sat Dec 16 18:28:36 GMT 2023
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PRIMARY |
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