Account 2-(6-Amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-5-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)benzoic acid
- Catalog No. :
- ACDXSA877
- CAS No. :
- 1025894-97-6
- Molecular Formula :
- C25H17N3O13S2
- Molecular Weight :
- 631.55
IUPAC Name:2-(6-Amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-5-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)benzoic acid
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Product Information
| Product Name | 2-(6-Amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-5-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)benzoic acid |
|---|---|
| IUPAC Name | 2-(6-Amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-5-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)benzoic acid |
| Molecular Formula | C25H17N3O13S2 |
| Molecular Weight | 631.55 |
| SMILES | O=S(C1=C(N)C=CC2=C(C3=CC=C(C(ON4C(CCC4=O)=O)=O)C=C3C(O)=O)C5=C([O+]=C12)C(S(=O)(O)=O)=C(N)C=C5)([O-])=O |
| InChI Key | FYCGGEVYPRTFDS-UHFFFAOYSA-N |
| Synonym | 1,3-Benzenedicarboxylic acid, 4-(6-amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-, 1-(2,5-dioxo-1-pyrrolidinyl) ester |
| CAS No. | 1025894-97-6 |
Synthetic Route by SureRoute
2. ACDXSA877 Molecular Building Block Synthetic Route
3,6-diamino-9-(2-carboxy-4-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)phenyl)-5-sulfoxanthylium-4-sulfonate
3,6-Diamino-9-(4-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)-2-(methyl(2-sulfoethyl)carbamoyl)phenyl)-5-sulfoxanthylium-4-sulfonate
3,6-Diamino-9-(4-((5-aminopentyl)carbamoyl)-2-carboxyphenyl)-5-sulfoxanthylium-4-sulfonate