Account 16-Chloro-11,21,25,61-tetramethyl-11H,21H,61H-10-oxa-4,8-dithia-1(7,3)-indola-2(4,3),6(3,5)- dipyrazola-9(3,1)-naphthalenacyclotridecaphane-12-carboxylic acid
- Catalog No. :
- ACDOHV380
- CAS No. :
- 2143010-83-5
- Molecular Formula :
- C35H34ClN5O3S2
- Molecular Weight :
- 672.28
IUPAC Name:16-Chloro-11,21,25,61-tetramethyl-11H,21H,61H-10-oxa-4,8-dithia-1(7,3)-indola-2(4,3),6(3,5)- dipyrazola-9(3,1)-naphthalenacyclotridecaphane-12-carboxylic acid
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Product Information
| Product Name | 16-Chloro-11,21,25,61-tetramethyl-11H,21H,61H-10-oxa-4,8-dithia-1(7,3)-indola-2(4,3),6(3,5)- dipyrazola-9(3,1)-naphthalenacyclotridecaphane-12-carboxylic acid |
|---|---|
| IUPAC Name | 16-Chloro-11,21,25,61-tetramethyl-11H,21H,61H-10-oxa-4,8-dithia-1(7,3)-indola-2(4,3),6(3,5)- dipyrazola-9(3,1)-naphthalenacyclotridecaphane-12-carboxylic acid |
| Molecular Formula | C35H34ClN5O3S2 |
| Molecular Weight | 672.28 |
| SMILES | O=C(O)C1=C(CCCOC2=C3C(C=CC=C3)=CC(SCC4=CC(CSCC5=NN(C)C(C)=C56)=NN4C)=C2)C7=CC=C(Cl)C6=C7N1C |
| InChI Key | KBQCEQAXHPIRTF-UHFFFAOYSA-N |
| Synonym | AZD5991;AZD-5991 Racemate;22H-9,4,8-(Metheniminomethyno)-14,20:26,23-dimetheno-10H,20H-pyrazolo[4,3-l][2,15,22,18,19]benzoxadithiadiazacyclohexacosine-32-carboxylic acid, 5-chloro-2,11,12,24,27,29-hexahydro-2,3,24,33-tetramethyl-;AZD 5991 Racemate,AZD5991 Racemate;AZD5991 ，S8643 |
| CAS No. | 2143010-83-5 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACDOHV380 Molecular Building Block Synthetic Route
(3aR)-5-Chloro-2,11,12,24,27,29-hexahydro-2,3,24,33-tetramethyl-22H-9,4,8-(metheniminomethyno)-14,20:26,23-dimetheno-10H,20H-pyrazolo[4,3-l][2,15,22,18,19]benzoxadithiadiazacyclohexacosine-32-carboxylic acid
(S)-16-Chloro-11,21,25,61-tetramethyl-11H,21H,61H-10-oxa-4,8-dithia-1(7,3)-indola-2(4,3),6(3,5)-dipyrazola-9(3,1)-naphthalenacyclotridecaphane-12-carboxylic acid
A-1208746