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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31F5N4O.C4H6O6
Molecular Weight 672.6401
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO(3,4-B)INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL (2R,3R)-TARTRATE

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.C[C@@H]1CC2=C(NC3=C2C=CC=C3)[C@H](N1CC(F)(F)CO)C4=C(F)C=C(NC5CN(CCCF)C5)C=C4F

InChI

InChIKey=QZOTWXMHTSEIJY-WULFPPIKSA-N
InChI=1S/C27H31F5N4O.C4H6O6/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28;5-1(3(7)8)2(6)4(9)10/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-,26-;1-,2-/m11/s1

HIDE SMILES / InChI
Molecular Formula C27H31F5N4O
Molecular Weight 522.5533
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED
Molecular Formula C4H6O6
Molecular Weight 150.0868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
72.8 ng/mL
OTHER
https://www.cuba.dialogoroche.com/content/dam/roche-dialogo/global-assets/downloadable-assets/oncology/roche-asco-2021/posters/oncology-annual-meeting-2021-poster-jhaveri-safety-and-activity-of-single-agent-giredestrant-GDC-9545-from-a-phase-Iab-study-in-patients.pdf
10 mg 1 times / day steady-state, oral
dose: 10 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
GIREDESTRANT plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
231 ng/mL
OTHER
https://www.cuba.dialogoroche.com/content/dam/roche-dialogo/global-assets/downloadable-assets/oncology/roche-asco-2021/posters/oncology-annual-meeting-2021-poster-jhaveri-safety-and-activity-of-single-agent-giredestrant-GDC-9545-from-a-phase-Iab-study-in-patients.pdf
30 mg 1 times / day steady-state, oral
dose: 30 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
GIREDESTRANT plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
718 ng/mL
OTHER
https://www.cuba.dialogoroche.com/content/dam/roche-dialogo/global-assets/downloadable-assets/oncology/roche-asco-2021/posters/oncology-annual-meeting-2021-poster-jhaveri-safety-and-activity-of-single-agent-giredestrant-GDC-9545-from-a-phase-Iab-study-in-patients.pdf
90 mg 1 times / day steady-state, oral
dose: 90 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
GIREDESTRANT plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
792 ng/mL
OTHER
https://www.cuba.dialogoroche.com/content/dam/roche-dialogo/global-assets/downloadable-assets/oncology/roche-asco-2021/posters/oncology-annual-meeting-2021-poster-jhaveri-safety-and-activity-of-single-agent-giredestrant-GDC-9545-from-a-phase-Iab-study-in-patients.pdf
100 mg 1 times / day steady-state, oral
dose: 100 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
GIREDESTRANT plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
1540 ng/mL
OTHER
https://www.cuba.dialogoroche.com/content/dam/roche-dialogo/global-assets/downloadable-assets/oncology/roche-asco-2021/posters/oncology-annual-meeting-2021-poster-jhaveri-safety-and-activity-of-single-agent-giredestrant-GDC-9545-from-a-phase-Iab-study-in-patients.pdf
250 mg 1 times / day steady-state, oral
dose: 250 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
GIREDESTRANT plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
1090 ng × h/L
OTHER
https://www.cuba.dialogoroche.com/content/dam/roche-dialogo/global-assets/downloadable-assets/oncology/roche-asco-2021/posters/oncology-annual-meeting-2021-poster-jhaveri-safety-and-activity-of-single-agent-giredestrant-GDC-9545-from-a-phase-Iab-study-in-patients.pdf
10 mg 1 times / day steady-state, oral
dose: 10 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
GIREDESTRANT plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
3850 ng × h/L
OTHER
https://www.cuba.dialogoroche.com/content/dam/roche-dialogo/global-assets/downloadable-assets/oncology/roche-asco-2021/posters/oncology-annual-meeting-2021-poster-jhaveri-safety-and-activity-of-single-agent-giredestrant-GDC-9545-from-a-phase-Iab-study-in-patients.pdf
30 mg 1 times / day steady-state, oral
dose: 30 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
GIREDESTRANT plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
11500 ng × h/L
OTHER
https://www.cuba.dialogoroche.com/content/dam/roche-dialogo/global-assets/downloadable-assets/oncology/roche-asco-2021/posters/oncology-annual-meeting-2021-poster-jhaveri-safety-and-activity-of-single-agent-giredestrant-GDC-9545-from-a-phase-Iab-study-in-patients.pdf
90 mg 1 times / day steady-state, oral
dose: 90 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
GIREDESTRANT plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
13400 ng × h/L
OTHER
https://www.cuba.dialogoroche.com/content/dam/roche-dialogo/global-assets/downloadable-assets/oncology/roche-asco-2021/posters/oncology-annual-meeting-2021-poster-jhaveri-safety-and-activity-of-single-agent-giredestrant-GDC-9545-from-a-phase-Iab-study-in-patients.pdf
100 mg 1 times / day steady-state, oral
dose: 100 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
GIREDESTRANT plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
25800 ng × h/L
OTHER
https://www.cuba.dialogoroche.com/content/dam/roche-dialogo/global-assets/downloadable-assets/oncology/roche-asco-2021/posters/oncology-annual-meeting-2021-poster-jhaveri-safety-and-activity-of-single-agent-giredestrant-GDC-9545-from-a-phase-Iab-study-in-patients.pdf
250 mg 1 times / day steady-state, oral
dose: 250 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
GIREDESTRANT plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
Substance Class Chemical
Created
by admin
on Tue Apr 01 21:41:29 GMT 2025
Edited
by admin
on Tue Apr 01 21:41:29 GMT 2025
Record UNII
LQ2B14CHF1
Record Status Validated (UNII)
Record Version
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Name Type Language
3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO(3,4-B)INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL (2R,3R)-TARTRATE
Preferred Name English
Code System Code Type Description
PUBCHEM
146026191
Created by admin on Tue Apr 01 21:41:29 GMT 2025 , Edited by admin on Tue Apr 01 21:41:29 GMT 2025
PRIMARY
SMS_ID
300000007960
Created by admin on Tue Apr 01 21:41:29 GMT 2025 , Edited by admin on Tue Apr 01 21:41:29 GMT 2025
PRIMARY
FDA UNII
LQ2B14CHF1
Created by admin on Tue Apr 01 21:41:29 GMT 2025 , Edited by admin on Tue Apr 01 21:41:29 GMT 2025
PRIMARY
Related Record Type Details
Structure of GIREDESTRANT
PARENT -> SALT/SOLVATE
NIH
NCATS
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