(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol Chemical Properties

Melting point:

113-115 °C

Boiling point:

506.1±50.0 °C(Predicted)

Density 

1.106±0.06 g/cm3(Predicted)

pka

10.34±0.60(Predicted)

InChI

InChI=1S/C21H32O3/c1-2-3-4-7-16(22)9-10-17-18-11-14-6-5-8-20(23)19(14)12-15(18)13-21(17)24/h5-6,8,15-18,21-24H,2-4,7,9-13H2,1H3/t15-,16-,17+,18-,21+/m0/s1

InChIKey

UTGPMEMKMRVGNE-HUTLKBDOSA-N

SMILES

[C@@H]1(CC[C@@H](O)CCCCC)[C@]2([H])[C@@]([H])(CC3=C(O)C=CC=C3C2)C[C@H]1O

(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol Usage And Synthesis

Uses

Descarboxymethyl Treprostinil is an impurity in the synthesis of Treprostinil (T719500), Synthetic analog of Prostacyclin (P839060). Antihypertensive. Treprostinil, marketed under the trade name Remodulin is a medication used to treat pulmonary arterial hypertension (PAH).

(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol(101692-02-8)Related Product Information

• Treprostinil Methyl Ester
• 15-epi-Treprostinil
• Treprostinil Ethyl Ester
• 2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid,2-(2-hydroxyethylamino)ethanol
• REMODULIN
• (-)-Treprostinil
• Treprostinil intermediate
• Trelagliptin Impurity JYJ
• Treprostinil Sodium
• Benzonitrile, 2-[[6-[(3R)-3-[[(2-cyano-5-fluorophenyl)methyl]amino]-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-4-fluoro-
• Trelagliptin Impurity 5