Chem
J-GLOBAL ID:200907013423639118
Nikkaji number:J611.112B
10-[(S)-2-Hydroxypropyl]-1,4,7,10-tetraazacyclododecane-1,4,7-trisacetic acid gadolinium salt
10-[(S)-2-ヒドロキシプロピル]-1,4,7,10-テトラアザシクロドデカン-1,4,7-トリス酢酸ガドリニウム
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C17 H29 GdN4 O7
Molecular formula furigana:
C17-H29-GD-N4-O7
Molecular weight:
558.690
InChI:
InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3/t14-;/m0./s1
InChI key:
DPNNNPAKRZOSMO-UQKRIMTDSA-K
SMILES:
C[C@H](O)CN1CCN2CCN3CCN(CC1)CC(=O)O[Gd](OC(=O)C2)OC(=O)C3
Systematic name (3):
10-[(S)-2-ヒドロキシプロピル]-1,4,7,10-テトラアザシクロドデカン-1,4,7-トリス酢酸ガドリニウム
8-[(2S)-2-ヒドロキシプロピル]-2,17,18-トリオキサ-5,8,11,14-テトラアザ-1-ガドリナトリシクロ[9.6.3.25,14 ]ドコサン-3,16,19-トリオン
8-[(2S)-2-hydroxypropyl]-2,17,18-trioxa-5,8,11,14-tetraaza-1-gadolinatricyclo[9.6.3.25,14 ]docosane-3,16,19-trione
Other name (1):
10-[(S)-2-Hydroxypropyl]-1,4,7,10-tetraazacyclododecane-1,4,7-trisacetic acid gadolinium salt
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