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Details

Stereochemistry ACHIRAL
Molecular Formula C29H35F3N2O4
Molecular Weight 532.5944
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0
Stereo Comments Trans ring substitution

SHOW SMILES / InChI
Structure of DES(CYCLOHEXYL)-4-HYDROXYCYCLOHEXYL-SIPONIMOD

SMILES

[H][C@@]1(CC[C@H](O)CC1)C2=CC=C(CO\N=C(/C)C3=CC=C(CN4CC(C4)C(O)=O)C(CC)=C3)C=C2C(F)(F)F

InChI

InChIKey=YAFLTFXRHZSRPM-WXXGNJLCSA-N
InChI=1S/C29H35F3N2O4/c1-3-20-13-22(5-6-23(20)14-34-15-24(16-34)28(36)37)18(2)33-38-17-19-4-11-26(27(12-19)29(30,31)32)21-7-9-25(35)10-8-21/h4-6,11-13,21,24-25,35H,3,7-10,14-17H2,1-2H3,(H,36,37)/b33-18+/t21-,25-

HIDE SMILES / InChI

Approval Year

Name Type Language
DES(CYCLOHEXYL)-4-HYDROXYCYCLOHEXYL-SIPONIMOD
Common Name English
SIPONIMOD METABOLITE M5
Common Name English
Code System Code Type Description
CAS
2248096-45-7
Created by admin on Sat Dec 16 14:36:59 GMT 2023 , Edited by admin on Sat Dec 16 14:36:59 GMT 2023
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FDA UNII
9S2E2QT92D
Created by admin on Sat Dec 16 14:36:59 GMT 2023 , Edited by admin on Sat Dec 16 14:36:59 GMT 2023
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