Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01096
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| Drug Name |
Iobenguane I-123
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| Synonyms |
(123)I-MIBG; (123I)-m-Iodobenzylguanidine; 123 iodine metaiodobenzylguanidine; 123I-MIBG; 2-[(3-iodanylphenyl)methyl]guanidine; 3-Iodobenzylguanidine (123I) (JAN); 76924-93-1; AC1L367T; AC1Q50E3; Adreview; CHEBI:135134; CHEMBL1615777; D01729; Guanidine, ((3-iodo(123I)phenyl)methyl)-; Iobenguane (123I); Iobenguane I 123; Iobenguane I 123 [USAN]; Iodine-123 metaiodobenzylguanidine; MOLI000966; MyoMIBG-I 123 (TN); P2TH1XYZ84; SCHEMBL13158600; UNII-P2TH1XYZ84; m-(123I)Iodobenzylguanidine; m-Iodobenzylguanidine-123I
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| Drug Type |
Small molecular drug
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| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C8H10IN3
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| Canonical SMILES |
C1=CC(=CC(=C1)I)CN=C(N)N
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| InChI |
InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)/i9-4
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| InChIKey |
PDWUPXJEEYOOTR-IUAIQHPESA-N
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| CAS Number |
CAS 76924-93-1
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| Pharmaceutical Properties | Molecular Weight | 271.09 | Topological Polar Surface Area | 64.4 | ||
| Heavy Atom Count | 12 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 1 | |||
| XLogP |
1
|
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| PubChem CID | ||||||
| PubChem SID |
103113617
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,124880479
,125820672
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,127320059
,127320060
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,127320063
,127320064
,127320065
,127320066
,128901924
,135114605
,137102707
,137138944
,142124139
,14750688
,162916309
,175427085
,179225831
,179235742
,24278499
,43118198
,47349354
,47573370
,47646555
,47720604
,48169363
,49698519
,50111105
,56219166
,57314158
,7398973
,77939172
,85788868
,90341658
,99222771
|
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| TTD Drug ID | ||||||
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