Account (6R,7R)-7-((E)-4-(2,4-dinitrocyclohexa-1,5-dien-1-yl)-2-(thiophen-2-yl)but-3-enamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- Catalog No. :
- ACHDXW037
- CAS No. :
- 41906-86-9
- Molecular Formula :
- C21H18N4O8S2
- Molecular Weight :
- 518.53
IUPAC Name:(6R,7R)-7-((E)-4-(2,4-dinitrocyclohexa-1,5-dien-1-yl)-2-(thiophen-2-yl)but-3-enamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
![(6R,7R)-7-((E)-4-(2,4-dinitrocyclohexa-1,5-dien-1-yl)-2-(thiophen-2-yl)but-3-enamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (6R,7R)-7-((E)-4-(2,4-dinitrocyclohexa-1,5-dien-1-yl)-2-(thiophen-2-yl)but-3-enamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
|---|---|
| IUPAC Name | (6R,7R)-7-((E)-4-(2,4-dinitrocyclohexa-1,5-dien-1-yl)-2-(thiophen-2-yl)but-3-enamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Formula | C21H18N4O8S2 |
| Molecular Weight | 518.53 |
| SMILES | O=C(O)C1=CCS[C@@H]2[C@H](NC(=O)C(/C=C/C3=C([N+](=O)[O-])CC([N+](=O)[O-])C=C3)C3=CC=CS3)C(=O)N12 |
| InChI Key | LHAVCJUVDNDDQP-GTXDNFGNSA-N |
| Synonym | 3-(2,4-DINITROSTYRYL)-(6R, 7R)-7-(2-THIENYLACETAMIDO)-CEPH-3-EM-4 CARBOXYLIC ACID, E-ISOMER;(6R)-3-[(E)-2-(2,4-Dinitrophenyl)ethenyl]-8-oxo-7α-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;Nitrocefin (>90%);(6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;NITROCEFIN;3-[(E)-2-(2,4-Dinitrophenyl)vinyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;Nitrocefin (>5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(1E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thienylacetyl)amino]-, (6R,7R)- |
| CAS No. | 41906-86-9 |
Synthetic Route by SureRoute
2. ACHDXW037 Molecular Building Block Synthetic Route
(6R,7R)-3-(Hydroxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Sodium (6R,7S)-3-((carbamoyloxy)methyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7S)-3-((Carbamoyloxy)methyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid