ANCRIVIROC BESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H37BrN4O3.C6H6O3S
Molecular Weight	715.697
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC=C1.CCO\N=C(\C2CCN(CC2)C3(C)CCN(CC3)C(=O)C4=C(C)[N+]([O-])=CC=C4C)C5=CC=C(Br)C=C5

InChI

InChIKey=RVIRPEALZXBUMV-REAKUJNMSA-N

InChI=1S/C28H37BrN4O3.C6H6O3S/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3;7-10(8,9)6-4-2-1-3-5-6/h6-10,17,23H,5,11-16,18-19H2,1-4H3;1-5H,(H,7,8,9)/b30-26+;

HIDE SMILES / InChI

Molecular Formula	C6H6O3S
Molecular Weight	158.175
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C28H37BrN4O3
Molecular Weight	557.522
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:54:44 UTC 2023` Edited by `admin` on `Fri Dec 15 15:54:44 UTC 2023`
Record UNII	54FF09J702
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ANCRIVIROC BESYLATE

Common Name

English

(1,4'-BIPIPERIDINE)-4-METHANIMINE, .ALPHA.-(4-BROMOPHENYL)-1'-((2,4-DIMETHYL-1-OXIDO-3-PYRIDINYL)CARBONYL)-N-ETHOXY-4'-METHYL-, (.ALPHA.Z)-, BENZENESULFONATE

Systematic Name

English

SCH-351125 BESYLATE

Code

English

Code System Code Type Description

PUBCHEM

9875058

Created by admin on Fri Dec 15 15:54:45 UTC 2023 , Edited by admin on Fri Dec 15 15:54:45 UTC 2023

PRIMARY

CAS

565428-86-6

Created by admin on Fri Dec 15 15:54:45 UTC 2023 , Edited by admin on Fri Dec 15 15:54:45 UTC 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

54FF09J702

Created by admin on Fri Dec 15 15:54:45 UTC 2023 , Edited by admin on Fri Dec 15 15:54:45 UTC 2023

PRIMARY

Related Record Type Details


					685928Z18A

BENZENESULFONIC ACID

PARENT -> SALT/SOLVATE

Amount:


					322WXU4AU2

ANCRIVIROC

PARENT -> SALT/SOLVATE

Amount: