VICRIVIROC HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38F3N5O2.ClH
Molecular Weight	570.09
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COC[C@H](N1CCN(C[C@@H]1C)C2(C)CCN(CC2)C(=O)C3=C(C)N=CN=C3C)C4=CC=C(C=C4)C(F)(F)F

InChI

InChIKey=ULGCLTGMZKAFMX-RIAYWLAYSA-N

InChI=1S/C28H38F3N5O2.ClH/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3;/h6-9,18-19,24H,10-17H2,1-5H3;1H/t19-,24-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula	C28H38F3N5O2
Molecular Weight	533.6288
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 11:15:20 UTC 2023` Edited by `admin` on `Sat Dec 16 11:15:20 UTC 2023`
Record UNII	25SS1WQB7W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VICRIVIROC HYDROCHLORIDE

Common Name

English

METHANONE, (4,6-DIMETHYL-5-PYRIMIDINYL)(4-((3S)-4-((1R)-2-METHOXY-1-(4-(TRIFLUOROMETHYL)PHENYL)ETHYL)-3-METHYL-1-PIPERAZINYL)-4-METHYL-1-PIPERIDINYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

(4,6-DIMETHYL-5-PYRIMIDINYL)(4-((3S)-4-((1R)-2-METHOXY-1-(4-(TRIFLUOROMETHYL)PHENYL)ETHYL)-3-METHYL-1-PIPERAZINYL)-4-METHYL-1-PIPERIDINYL)METHANONE, HYDROCHLORIDE

Systematic Name

English

VICRIVIROC HYDROCHLORIDE [MI]

Common Name

English

Code System Code Type Description

CAS

541503-48-4