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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H59NO9
Molecular Weight 757.9513
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4,5-Bis[[(2,2-dimethyl-1-oxo-4-pentyn-1-yl)oxy]methyl]-2-methyl-3-pyridinyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoate

SMILES

CC1=NC=C(COC(=O)C(C)(C)CC#C)C(COC(=O)C(C)(C)CC#C)=C1OC(=O)CCC\C=C/C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2CC[C@@H](O)CCC3=CC=CC=C3

InChI

InChIKey=QLDPANOCDFDQHA-ANLJWSNKSA-N
InChI=1S/C45H59NO9/c1-8-25-44(4,5)42(51)53-29-33-28-46-31(3)41(37(33)30-54-43(52)45(6,7)26-9-2)55-40(50)20-16-11-10-15-19-35-36(39(49)27-38(35)48)24-23-34(47)22-21-32-17-13-12-14-18-32/h1-2,10,12-15,17-18,28,34-36,38-39,47-49H,11,16,19-27,29-30H2,3-7H3/b15-10-/t34-,35+,36+,38-,39+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, 4,5-bis[[(2,2-dimethyl-1-oxo-4-pentyn-1-yl)oxy]methyl]-2-methyl-3-pyridinyl ester, (5Z)-
Preferred Name English
4,5-Bis[[(2,2-dimethyl-1-oxo-4-pentyn-1-yl)oxy]methyl]-2-methyl-3-pyridinyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoate
Systematic Name English
Code System Code Type Description
CAS
2244908-32-3
Created by admin on Wed Apr 02 20:21:16 GMT 2025 , Edited by admin on Wed Apr 02 20:21:16 GMT 2025
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PUBCHEM
146535277
Created by admin on Wed Apr 02 20:21:16 GMT 2025 , Edited by admin on Wed Apr 02 20:21:16 GMT 2025
PRIMARY
FDA UNII
3K9E933X8U
Created by admin on Wed Apr 02 20:21:16 GMT 2025 , Edited by admin on Wed Apr 02 20:21:16 GMT 2025
PRIMARY