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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H41F2N5O2
Molecular Weight 529.6649
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UK-437719

SMILES

CC(C)C1=NN=C(C)N1[C@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H](NC(=O)C4CCC(F)(F)CC4)C5=CC=C(O)C=C5

InChI

InChIKey=FWOMXCBURQJRQH-UHCVVMIDSA-N
InChI=1S/C29H41F2N5O2/c1-18(2)27-34-33-19(3)36(27)24-16-22-6-7-23(17-24)35(22)15-12-26(20-4-8-25(37)9-5-20)32-28(38)21-10-13-29(30,31)14-11-21/h4-5,8-9,18,21-24,26,37H,6-7,10-17H2,1-3H3,(H,32,38)/t22-,23+,24-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H41F2N5O2
Molecular Weight 529.6649
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:09:09 UTC 2023
Edited
by admin
on Sat Dec 16 10:09:09 UTC 2023
Record UNII
678M23CD89
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UK-437719
Common Name English
UK-437,719
Common Name English
MARAVIROC METABOLITE H6
Common Name English
CYCLOHEXANECARBOXAMIDE, 4,4-DIFLUORO-N-((1S)-1-(4-HYDROXYPHENYL)-3-((3-EXO)-3-(3-METHYL-5-(1-METHYLETHYL)-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO(3.2.1)OCT-8-YL)PROPYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
678M23CD89
Created by admin on Sat Dec 16 10:09:09 UTC 2023 , Edited by admin on Sat Dec 16 10:09:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID00675954
Created by admin on Sat Dec 16 10:09:09 UTC 2023 , Edited by admin on Sat Dec 16 10:09:09 UTC 2023
PRIMARY
CAS
856708-54-8
Created by admin on Sat Dec 16 10:09:09 UTC 2023 , Edited by admin on Sat Dec 16 10:09:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
<1% radioactivity
MINOR
FECAL; PLASMA; URINE