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Details

Stereochemistry ACHIRAL
Molecular Formula C13H22N4O
Molecular Weight 250.34
Optical Activity NONE
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5-ISOPROPYL-4-((1R,5S)-8-METHYL-8-AZABICYCLO(3.2.1)OCTAN-3-YL)-1,2,4-TRIAZOL-3-YL)METHANOL

SMILES

CC(C)C1=NN=C(CO)N1[C@H]2C[C@@H]3CC[C@H](C2)N3

InChI

InChIKey=LPYSKZZVODVGAC-JGPRNRPPSA-N
InChI=1S/C13H22N4O/c1-8(2)13-16-15-12(7-18)17(13)11-5-9-3-4-10(6-11)14-9/h8-11,14,18H,3-7H2,1-2H3/t9-,10+,11-

HIDE SMILES / InChI

Molecular Formula C13H22N4O
Molecular Weight 250.34
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 14:36:59 GMT 2023
Edited
by admin
on Sat Dec 16 14:36:59 GMT 2023
Record UNII
6KA5P43EHW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5-ISOPROPYL-4-((1R,5S)-8-METHYL-8-AZABICYCLO(3.2.1)OCTAN-3-YL)-1,2,4-TRIAZOL-3-YL)METHANOL
Systematic Name English
MARAVIROC METABOLITE H1
Common Name English
Code System Code Type Description
FDA UNII
6KA5P43EHW
Created by admin on Sat Dec 16 14:36:59 GMT 2023 , Edited by admin on Sat Dec 16 14:36:59 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE