Cas no 1033617-31-0 ((2,4-dibromo-3-(((4-carbamimidamidobutyl)carbamoyl)oxy)-6-hydroxyphenyl)acetic acid)
1033617-31-0 structure
Product Name:(2,4-dibromo-3-(((4-carbamimidamidobutyl)carbamoyl)oxy)-6-hydroxyphenyl)acetic acid
CAS No:1033617-31-0
MF:C14H18Br2N4O5
MW:482.12452173233
CID:1997179
Update Time:2025-04-21
(2,4-dibromo-3-(((4-carbamimidamidobutyl)carbamoyl)oxy)-6-hydroxyphenyl)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- (2,4-dibromo-3-(((4-carbamimidamidobutyl)carbamoyl)oxy)-6-hydroxyphenyl)acetic acid
- Clavatadine A
- clavatidine A
-
- Inchi： 1S/C14H18Br2N4O5/c15-8-6-9(21)7(5-10(22)23)11(16)12(8)25-14(24)20-4-2-1-3-19-13(17)18/h6,21H,1-5H2,(H,20,24)(H,22,23)(H4,17,18,19)
- InChI Key： XFAYUCCPAGOBFN-UHFFFAOYSA-N
- SMILES： NC(NCCCCNC(OC1C(Br)=C(CC(=O)O)C(O)=CC=1Br)=O)=N
Computed Properties
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 25
- XLogP3: 1.696
(2,4-dibromo-3-(((4-carbamimidamidobutyl)carbamoyl)oxy)-6-hydroxyphenyl)acetic acid Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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