VOFOPITANT C-11

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H23F3N6O
Molecular Weight	431.4429
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[11CH3]OC1=CC=C(C=C1CN[C@H]2CCCN[C@H]2C3=CC=CC=C3)N4N=NN=C4C(F)(F)F

InChI

InChIKey=XILNRORTJVDYRH-GQNWDAJUSA-N

InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1/i1-1

HIDE SMILES / InChI

Molecular Formula	C21H23F3N6O
Molecular Weight	431.4429
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:54:09 UTC 2023` Edited by `admin` on `Sat Dec 16 18:54:09 UTC 2023`
Record UNII	XWN7G45JKF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VOFOPITANT C-11

Common Name

English

(2S,3S)-N-((2-(METHOXY-11C)-5-(5-(TRIFLUOROMETHYL)-1H-TETRAZOL-1-YL)PHENYL)METHYL)-2-PHENYL-3-PIPERIDINAMINE

Systematic Name

English

3-PIPERIDINAMINE, N-((2-(METHOXY-11C)-5-(5-(TRIFLUOROMETHYL)-1H-TETRAZOL-1-YL)PHENYL)METHYL)-2-PHENYL-, (2S,3S)-

Systematic Name

English

GR-205171 C-11

Code

English

(11C)GR205171

Code

English

Code System Code Type Description

FDA UNII

XWN7G45JKF

Created by admin on Sat Dec 16 18:54:09 UTC 2023 , Edited by admin on Sat Dec 16 18:54:09 UTC 2023

PRIMARY

CAS

462127-34-0

Created by admin on Sat Dec 16 18:54:09 UTC 2023 , Edited by admin on Sat Dec 16 18:54:09 UTC 2023

PRIMARY

PUBCHEM

449666

Created by admin on Sat Dec 16 18:54:09 UTC 2023 , Edited by admin on Sat Dec 16 18:54:09 UTC 2023

PRIMARY

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