(1S,3S)-3-HYDROXYMARAVIROC

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H41F2N5O2
Molecular Weight	529.6649
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=NN=C(C)N1[C@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H](NC(=O)[C@H]4CCC(F)(F)[C@@H](O)C4)C5=CC=CC=C5

InChI

InChIKey=XBDVGRGQCHEGLS-KHHRQSBUSA-N

InChI=1S/C29H41F2N5O2/c1-18(2)27-34-33-19(3)36(27)24-16-22-9-10-23(17-24)35(22)14-12-25(20-7-5-4-6-8-20)32-28(38)21-11-13-29(30,31)26(37)15-21/h4-8,18,21-26,37H,9-17H2,1-3H3,(H,32,38)/t21-,22-,23+,24-,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H41F2N5O2
Molecular Weight	529.6649
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:12:39 GMT 2023` Edited by `admin` on `Sat Dec 16 15:12:39 GMT 2023`
Record UNII	LY7N2I13DE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1S,3S)-3-HYDROXYMARAVIROC

Common Name

English

MARAVIROC METABOLITE H7

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

LY7N2I13DE

Created by admin on Sat Dec 16 15:12:39 GMT 2023 , Edited by admin on Sat Dec 16 15:12:39 GMT 2023

PRIMARY

CAS

2230267-74-8

Created by admin on Sat Dec 16 15:12:39 GMT 2023 , Edited by admin on Sat Dec 16 15:12:39 GMT 2023

PRIMARY

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