UK-408027

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H24N4
Molecular Weight	248.3672
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
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)N3C

InChI

InChIKey=IPHQRIQNYSMMDD-CLLJXQQHSA-N

InChI=1S/C14H24N4/c1-9(2)14-16-15-10(3)18(14)13-7-11-5-6-12(8-13)17(11)4/h9,11-13H,5-8H2,1-4H3/t11-,12+,13-

HIDE SMILES / InChI

Molecular Formula	C14H24N4
Molecular Weight	248.3672
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:54:03 GMT 2023` Edited by `admin` on `Sat Dec 16 18:54:03 GMT 2023`
Record UNII	W3U46P8KEY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

UK-408027

Code

English

8-AZABICYCLO(3.2.1)OCTANE, 3-(3-METHYL-5-(1-METHYLETHYL)-4H-1,2,4-TRIAZOL-4-YL)-, (3-EXO)-

Systematic Name

English

UK 408027

Code

English

MARAVIROC METABOLITE H2

Common Name

English

(3-exo)-3-[3-Methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane

Systematic Name

English

Code System Code Type Description

FDA UNII

W3U46P8KEY

Created by admin on Sat Dec 16 18:54:03 GMT 2023 , Edited by admin on Sat Dec 16 18:54:03 GMT 2023

PRIMARY

CAS

423165-07-5

Created by admin on Sat Dec 16 18:54:03 GMT 2023 , Edited by admin on Sat Dec 16 18:54:03 GMT 2023

PRIMARY

EPA CompTox

DTXSID60463410

Created by admin on Sat Dec 16 18:54:03 GMT 2023 , Edited by admin on Sat Dec 16 18:54:03 GMT 2023

PRIMARY

Related Record Type Details


					MD6P741W8A

Maraviroc

PARENT -> METABOLITE

Qualification:

FECAL; PLASMA; URINE

Amount: