U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H18N2O.ClH
Molecular Weight 278.777
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Limantrafin hydrochloride

SMILES

Cl.CC(C)(C)C1=CC=C(OC2=NC=C(N)C=C2)C=C1

InChI

InChIKey=WLUQNBKZPMQGJG-UHFFFAOYSA-N
InChI=1S/C15H18N2O.ClH/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14;/h4-10H,16H2,1-3H3;1H

HIDE SMILES / InChI
Molecular Formula C15H18N2O
Molecular Weight 242.3162
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
44.4 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
13 mg single, oral
dose: 13 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
53.68 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
26 mg single, oral
dose: 26 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
98.47 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
52 mg single, oral
dose: 52 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
367.6 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
104 mg single, oral
dose: 104 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
481.63 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
148 mg single, oral
dose: 148 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
731 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
217 mg single, oral
dose: 217 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1152 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
348 mg single, oral
dose: 348 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1227.38 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
522 mg single, oral
dose: 522 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1013.64 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
250 mg 2 times / day multiple, oral
dose: 250 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1631.67 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
300 mg 2 times / day multiple, oral
dose: 300 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1617.5 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
400 mg 2 times / day multiple, oral
dose: 400 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
2385.63 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
500 mg 2 times / day multiple, oral
dose: 500 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
173.66 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
13 mg single, oral
dose: 13 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
219.65 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
26 mg single, oral
dose: 26 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
496.23 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
52 mg single, oral
dose: 52 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1442.41 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
104 mg single, oral
dose: 104 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1261.85 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
148 mg single, oral
dose: 148 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
2620.13 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
217 mg single, oral
dose: 217 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
3517.77 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
348 mg single, oral
dose: 348 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
5905.64 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
522 mg single, oral
dose: 522 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
6142.81 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
250 mg 2 times / day multiple, oral
dose: 250 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
10379.9 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
300 mg 2 times / day multiple, oral
dose: 300 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
14867.46 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
400 mg 2 times / day multiple, oral
dose: 400 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
14216.41 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
500 mg 2 times / day multiple, oral
dose: 500 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
16.5 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/37712875/
500 mg 2 times / day multiple, oral
dose: 500 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CB-103 plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
Substance Class Chemical
Created
by admin
on Tue Apr 01 23:55:06 GMT 2025
Edited
by admin
on Tue Apr 01 23:55:06 GMT 2025
Record UNII
37VB9K7MPR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CB-103 HYDROCHLORIDE
Preferred Name English
Limantrafin hydrochloride
Common Name English
6-(4-(tert-butyl)phenoxy)pyridin-3-amine hydrochloride
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 862821
Created by admin on Tue Apr 01 23:55:06 GMT 2025 , Edited by admin on Tue Apr 01 23:55:06 GMT 2025
Code System Code Type Description
SMS_ID
300000035837
Created by admin on Tue Apr 01 23:55:06 GMT 2025 , Edited by admin on Tue Apr 01 23:55:06 GMT 2025
PRIMARY
FDA UNII
37VB9K7MPR
Created by admin on Tue Apr 01 23:55:06 GMT 2025 , Edited by admin on Tue Apr 01 23:55:06 GMT 2025
PRIMARY
PUBCHEM
146278358
Created by admin on Tue Apr 01 23:55:06 GMT 2025 , Edited by admin on Tue Apr 01 23:55:06 GMT 2025
PRIMARY
Related Record Type Details
Structure of Limantrafin
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of Limantrafin
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