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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H36O11P2
Molecular Weight 550.4729
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Treprostinil Phosphate

SMILES

[H][C@]12C[C@@H](OP(O)(O)=O)[C@H](CC[C@H](CCCCC)OP(O)(O)=O)[C@@]1([H])CC3=CC=CC(OCC(O)=O)=C3C2

InChI

InChIKey=IERCXWVEMYXPMR-KSSXRGRSSA-N
InChI=1S/C23H36O11P2/c1-2-3-4-7-17(33-35(26,27)28)9-10-18-19-11-15-6-5-8-21(32-14-23(24)25)20(15)12-16(19)13-22(18)34-36(29,30)31/h5-6,8,16-19,22H,2-4,7,9-14H2,1H3,(H,24,25)(H2,26,27,28)(H2,29,30,31)/t16-,17-,18+,19-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H36O11P2
Molecular Weight 550.4729
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:16:10 UTC 2023
Edited
by admin
on Sat Dec 16 18:16:10 UTC 2023
Record UNII
99S2PY5BN2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Treprostinil Phosphate
USAN  
Official Name English
UT-86
Code English
TREPROSTINIL BISPHOSPHATE
Common Name English
2-({(1R,2R,3aS,9aS)-2-(Phosphonooxy)-1-[(S)-3-(phosphonooxy)octyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl}oxy)acetic acid
Systematic Name English
Acetic acid, 2-[[(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-(phosphonooxy)-1-[(3S)-3-(phosphonooxy)octyl]-1H-benz[f]inden-5-yl]oxy]-
Systematic Name English
Code System Code Type Description
USAN
LM-105
Created by admin on Sat Dec 16 18:16:10 UTC 2023 , Edited by admin on Sat Dec 16 18:16:10 UTC 2023
PRIMARY
CAS
830354-49-9
Created by admin on Sat Dec 16 18:16:10 UTC 2023 , Edited by admin on Sat Dec 16 18:16:10 UTC 2023
PRIMARY
PUBCHEM
156104640
Created by admin on Sat Dec 16 18:16:10 UTC 2023 , Edited by admin on Sat Dec 16 18:16:10 UTC 2023
PRIMARY
FDA UNII
99S2PY5BN2
Created by admin on Sat Dec 16 18:16:10 UTC 2023 , Edited by admin on Sat Dec 16 18:16:10 UTC 2023
PRIMARY
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METABOLITE ACTIVE -> PRODRUG
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ACTIVE MOIETY