4,4-DIFLUORO-N-((1S)-3-((1R,5S)-3-(3-(HYDROXYMETHYL)-5-ISOPROPYL-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO(3.2.1)OCTAN-8-YL)-1-PHENYL-PROPYL)CYCLOHEXANECARBOXAMIDE

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 4,4-DIFLUORO-N-((1S)-3-((1R,5S)-3-(3-(HYDROXYMETHYL)-5-ISOPROPYL-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO(3.2.1)OCTAN-8-YL)-1-PHENYL-PROPYL)CYCLOHEXANECARBOXAMIDE

Structure Search

SMILES

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

InChI

InChIKey=QYAXWUVUSZZECX-NDBXHCKUSA-N

InChI=1S/C29H41F2N5O2/c1-19(2)27-34-33-26(18-37)36(27)24-16-22-8-9-23(17-24)35(22)15-12-25(20-6-4-3-5-7-20)32-28(38)21-10-13-29(30,31)14-11-21/h3-7,19,21-25,37H,8-18H2,1-2H3,(H,32,38)/t22-,23+,24-,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

4,4-DIFLUORO-N-((1S)-3-((1R,5S)-3-(3-(HYDROXYMETHYL)-5-ISOPROPYL-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO(3.2.1)OCTAN-8-YL)-1-PHENYL-PROPYL)CYCLOHEXANECARBOXAMIDE

Systematic Name

English

CYCLOHEXANECARBOXAMIDE, 4,4-DIFLUORO-N-((1S)-3-((3-EXO)-3-(3-(HYDROXYMETHYL)-5-(1-METHYLETHYL)-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO(3.2.1)OCT-8-YL)-1-PHENYLPROPYL)-

Systematic Name

English

HYDROXYMETHYLMARAVIROC

Common Name

English

Code System Code Type Description

FDA UNII

MD6TSO240K

Created by admin on Sat Dec 16 14:58:23 GMT 2023 , Edited by admin on Sat Dec 16 14:58:23 GMT 2023

PRIMARY

CAS

2230267-78-2