NP 13 A
6-[(1R,5R)-5-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]sulfanylhexanoic acid
Also Known As: 10,10-Dmdtcpt-PGE1|NP 13 A|NP13A|NP-13-A|6-[(1R,5R)-5-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]sulfanylhexanoic acid|10,10-Dimethyl-11-deoxy-7-thia-16-meta-chlorophenoxy-17,18,19,20-tetranol-prostaglandin E1|Hexanoic acid, 6-((5-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,3-dimethyl-2-oxocyclopentyl)thio)-, (1R-(1alpha,5beta(1E,3R*)))-
CAS: 98677-34-0
| Molecular Formula | C23H31ClO5S |
|---|---|
| Molecular Weight | 454.15808 g/mol |
| LogP | 4.9979 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 454.15808 |
| Monoisotopic Mass | 454.15808 |
| Heavy Atoms | 30 |
| Complexity | 748.86395 |
Chemical Identifiers
| CAS Number | 98677-34-0 |
|---|---|
| SMILES | CC1(C[C@@H]([C@H](C1=O)SCCCCCC(=O)O)/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)C |
Product Overview
NP 13 A (CAS 98677-34-0), with molecular formula C23H31ClO5S and molecular weight 454.15808 g/mol. IUPAC: 6-[(1R,5R)-5-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]sulfanylhexanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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