| Identification | Back Directory | [Name]
(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol | [CAS]
101692-02-8 | [Synonyms]
9aS)-2
5-diol
UT15 N-2
Treprostinil Intermediates
Treprostinil Descarboxymethyl
9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2
(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]inden-2,5-diol
(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol
1H-Benz[f]indene-2,5-diol, 2,3,3a,4,9,9a-hexahydro-1-[(3S)-3-hydroxyoctyl]-, (1R,2R,3aS,9aS)-
(1R,2R,3aS,9aS)-1-((S)-3-Hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,5-diol
(1R,2R,3aS,9aS)-1-((S,E)-3-hydroxyoct-1-en-1-yl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,5-diol | [Molecular Formula]
C21H32O3 | [MDL Number]
MFCD30478439 | [MOL File]
101692-02-8.mol | [Molecular Weight]
332.48 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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). |
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