NOLPITANTIUM BESILATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H45Cl2N2O2.C6H5O3S
Molecular Weight	777.839
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[O-]S(=O)(=O)C1=CC=CC=C1.CC(C)OC2=CC(CC(=O)N3CCC[C@@](CC[N+]45CCC(CC4)(CC5)C6=CC=CC=C6)(C3)C7=CC=C(Cl)C(Cl)=C7)=CC=C2

InChI

InChIKey=PQRLQZNKDQQMBC-LSYPWIJNSA-M

InChI=1S/C37H45Cl2N2O2.C6H6O3S/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30;7-10(8,9)6-4-2-1-3-5-6/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1/t36?,37-,41?;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C6H5O3S
Molecular Weight	157.167
Charge	-1
Count

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

Molecular Formula	C37H45Cl2N2O2
Molecular Weight	620.671
Charge	1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:05:27 UTC 2023` Edited by `admin` on `Fri Dec 15 17:05:27 UTC 2023`
Record UNII	SN2G80PK4I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NOLPITANTIUM BESILATE

Official Name

English

1-(2-((S)-3-(3,4-DICHLOROPHENYL)-1-((M-ISOPROPOXYPHENYL)ACETYL)-3-PIPERIDYL)ETHYL-4-PHENYLQUINUCLIDINIUM BENZENESULPHONATE

Common Name

English

NOLPITANTIUM BENZENESULFONATE

Common Name

English

NOLPITANTIUM BESYLATE

Common Name

English

1-AZONIABICYCLO(2.2.2)OCTANE, 1-(2-((3S)-3-(3,4-DICHLOROPHENYL)-1-(2-(3-(1-METHYLETHOXY)PHENYL)ACETYL)-3-PIPERIDINYL)ETHYL)-4-PHENYL-, BENZENESULFONATE (1:1)

Common Name

English

1-AZONIABICYCLO(2.2.2)OCTANE, 1-(2-((3S)-3-(3,4-DICHLOROPHENYL)-1-((3-(1-METHYLETHOXY)PHENYL)ACETYL)-3-PIPERIDINYL)ETHYL)-4-PHENYL-, BENZENESULFONATE

Common Name

English

1-(2-(3-(3,4-DICHLOROPHENYL)-1-(3-ISOPROPOXYPHENYLACETYL)PIPERIDIN-3-YL)ETHYL)-4-PHENYL-1-AZONIABICYCLO(2.2.2)OCTANE BENZENESULFONATE

Common Name

English

nolpitantium besilate [INN]

Common Name

English

1-(2-((S)-3-(3,4-DICHLOROPHENYL)-1-((M-ISOPROPOXYPHENYL)ACETYL)-3-PIPERIDYL)ETHYL-4-PHENYLQUINUCLIDINIUM BENZENESULFONATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C267