PYRROBUTAMINE NAPHTHALENE DISULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C20H22ClN.C10H8O6S2
Molecular Weight	911.994
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of PYRROBUTAMINE NAPHTHALENE DISULFONATE

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC2=C(C=CC=C12)S(O)(=O)=O.ClC3=CC=C(CC(=CCN4CCCC4)C5=CC=CC=C5)C=C3.ClC6=CC=C(CC(=CCN7CCCC7)C8=CC=CC=C8)C=C6

InChI

InChIKey=OCOQSLMGOIWOJJ-UHFFFAOYSA-N

InChI=1S/2C20H22ClN.C10H8O6S2/c2*21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*1-3,6-12H,4-5,13-16H2;1-6H,(H,11,12,13)(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula	C20H22ClN
Molecular Weight	311.848
Charge	0
Count

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

Molecular Formula	C10H8O6S2
Molecular Weight	288.297
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:24:30 UTC 2023` Edited by `admin` on `Fri Dec 15 15:24:30 UTC 2023`
Record UNII	144X0H6HW6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PYRROBUTAMINE NAPHTHALENE DISULFONATE

Common Name

English

PYRROLIDINE, 1-(4-(4-CHLOROPHENYL)-3-PHENYL-2-BUTENYL)-, 1,5-NAPHTHALENEDISULFONATE (2:1)

Common Name

English

1,5-NAPHTHALENEDISULFONIC ACID, COMPD. WITH 1-(4-(4-CHLOROPHENYL)-3-PHENYL-2-BUTEN-1-YL)PYRROLIDINE (1:2)

Common Name

English

1-(4-(4-CHLOROPHENYL)-3-PHENYL-2-BUTENYL)-PYRROLIDINE 1,5-NAPHTHALENEDISULFONATE

Systematic Name

English

Code System Code Type Description

FDA UNII

144X0H6HW6