Gadobutrol (JAN/USAN/INN)

HCID 15814656

기본 정보

표준 SMILES
O=C([O-])CN1CCN(CC(=O)[O-])CCN(C(CO)C(O)CO)CCN(CC(=O)[O-])CC1.[Gd+3]
InChIKey
ZPDFIIGFYAHNSK-UHFFFAOYSA-K
분자식
C18H31GdN4O9
평균 분자량
604.7 g/mol
단동위원소 질량
605.13321

이름 및 식별자

우선 이름
Gadobutrol (JAN/USAN/INN)
IUPAC
2-[4,10-bis(carboxylatomethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)

이름 및 동의어

Gadobutrol (JAN/USAN/INN)RefChem:1085633C18H31GdN4O9Gd-DO3A-butrolGadavist (TN)Gd-BT-DO3AGadobutrol Impurity 155SCHEMBL29113725ZPDFIIGFYAHNSK-UHFFFAOYSA-Kgadolinium(3+) 2-[4,7-bis(carboxylatomethyl)-10-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetraazacyclododecan-1-yl]acetates3497AKOS040759383
이름 더 보기
G0503D07420(10-((1SR,2RS)-2,3-Dihydroxy-1-(hydroxymethyl)propyl)-1,4,7,10-tetraazacyclodecane-1,4,7-triacetato(3-))gadolinium[1,4,7-Tris(carboxymethyl)-10-(1-(hydroxymethyl)-2,3-dihydroxypropyl)-1,4,7,10-tetraazacyclododecanato] gadolinium(III)2-[4,10-bis(carboxylatomethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)2-[4,10-bis(carboxylatomethyl)-7-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)gadolinium(III) 2,2',2''-(10-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetateGadolinium, (10-(2,3-Dihydroxy-1-(hydroxymethyl)propyl)-1,4,7,10-tetraazacyclodecane-1,4,7-triacetato(3-)-N1,N4,N7,N10,O1,O4,O7)-

데이터베이스 식별자

PubChem CID
15814656
Nikkaji
J561.812F

물성

구조 계산 물성

극성 표면적
194 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
13
회전 가능 결합 수
7
무거운 원자 수
32

관련 반응

5건

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