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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H30FN5O4.C4H11NO3
Molecular Weight 676.7344
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DANUGLIPRON TROMETHAMINE

SMILES

NC(CO)(CO)CO.OC(=O)C1=CC2=C(C=C1)N=C(CN3CCC(CC3)C4=NC(OCC5=CC=C(C=C5F)C#N)=CC=C4)N2C[C@@H]6CCO6

InChI

InChIKey=JEJPAGACGZQFHN-JIDHJSLPSA-N
InChI=1S/C31H30FN5O4.C4H11NO3/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24;5-4(1-6,2-7)3-8/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39);6-8H,1-3,5H2/t24-;/m0./s1

HIDE SMILES / InChI
Molecular Formula C4H11NO3
Molecular Weight 121.135
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C31H30FN5O4
Molecular Weight 555.5994
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
136 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/36433713/
40 mg 2 times / day steady-state, oral
dose: 40 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
DANUGLIPRON plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
245.3 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/36433713/
80 mg 2 times / day steady-state, oral
dose: 80 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
DANUGLIPRON plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
415.8 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/36433713/
120 mg 2 times / day steady-state, oral
dose: 120 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
DANUGLIPRON plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
2424 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/36433713/
40 mg 2 times / day steady-state, oral
dose: 40 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
DANUGLIPRON plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
4691 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/36433713/
80 mg 2 times / day steady-state, oral
dose: 80 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
DANUGLIPRON plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
6953 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/36433713/
120 mg 2 times / day steady-state, oral
dose: 120 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
DANUGLIPRON plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
6.373 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/36433713/
40 mg 2 times / day steady-state, oral
dose: 40 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
DANUGLIPRON plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
5.543 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/36433713/
80 mg 2 times / day steady-state, oral
dose: 80 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
DANUGLIPRON plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
5.3 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/36433713/
120 mg 2 times / day steady-state, oral
dose: 120 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
DANUGLIPRON plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
Substance Class Chemical
Created
by admin
on Tue Apr 01 23:13:32 GMT 2025
Edited
by admin
on Tue Apr 01 23:13:32 GMT 2025
Record UNII
2HJV78O0SS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-BENZIMIDAZOLE-6-CARBOXYLIC ACID, 2-((4-(6-((4-CYANO-2-FLUOROPHENYL)METHOXY)-2-PYRIDINYL)-1-PIPERIDINYL)METHYL)-1-((2S)-2-OXETANYLMETHYL)-, COMPD. WITH 2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL (1:1)
Preferred Name English
DANUGLIPRON TROMETHAMINE
Official Name English
DANUGLIPRON TROMETHAMINE [USAN]
Common Name English
PF-06882961 TROMETHAMINE
Common Name English
2-((4-(6-((4-CYANO-2-FLUOROBENZYL)OXY)PYRIDIN-2-YL)PIPERIDIN-1-YL)METHYL)-1-((2S)-OXETAN-2-YLMETHYL)-1H-BENZIMIDAZOLE-6-CARBOXYLIC ACID TRIS(HYDROXYMETHYL)AMINOMETHANE SALT (1:1)
Systematic Name English
PF-06882961-82
Code English
2-((4-(6-(4-CYANO-2-FLUOROBENZYLOXY)PYRIDIN-2-YL)PIPERIDIN-1-YL)METHYL)-1-((2S)-OXETAN-2-YLMETHYL)-1H-BENZIMIDAZOLE-6-CARBOXYLIC ACID, (1:1) SALT WITH 2-AMINO-2-(HYDROXYMETHYL)PROPANE-1,3-DIOL
Systematic Name English
Code System Code Type Description
USAN
HI-77
Created by admin on Tue Apr 01 23:13:32 GMT 2025 , Edited by admin on Tue Apr 01 23:13:32 GMT 2025
PRIMARY
NCI_THESAURUS
C177061
Created by admin on Tue Apr 01 23:13:32 GMT 2025 , Edited by admin on Tue Apr 01 23:13:32 GMT 2025
PRIMARY
PUBCHEM
154702463
Created by admin on Tue Apr 01 23:13:32 GMT 2025 , Edited by admin on Tue Apr 01 23:13:32 GMT 2025
PRIMARY
SMS_ID
300000028111
Created by admin on Tue Apr 01 23:13:32 GMT 2025 , Edited by admin on Tue Apr 01 23:13:32 GMT 2025
PRIMARY
CAS
2230198-03-3
Created by admin on Tue Apr 01 23:13:32 GMT 2025 , Edited by admin on Tue Apr 01 23:13:32 GMT 2025
PRIMARY
FDA UNII
2HJV78O0SS
Created by admin on Tue Apr 01 23:13:32 GMT 2025 , Edited by admin on Tue Apr 01 23:13:32 GMT 2025
PRIMARY
Related Record Type Details
Structure of DANUGLIPRON
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of DANUGLIPRON
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