BENZOCTAMINE MESILATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H19N.CH4O3S
Molecular Weight	345.456
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CNCC12CCC(C3=C1C=CC=C3)C4=C2C=CC=C4

InChI

InChIKey=ULOQELONFAGTLP-UHFFFAOYSA-N

InChI=1S/C18H19N.CH4O3S/c1-19-12-18-11-10-13(14-6-2-4-8-16(14)18)15-7-3-5-9-17(15)18;1-5(2,3)4/h2-9,13,19H,10-12H2,1H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C18H19N
Molecular Weight	249.3502
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 `Sat Dec 16 18:08:16 UTC 2023` Edited by `admin` on `Sat Dec 16 18:08:16 UTC 2023`
Record UNII	IYQ3K620CD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOCTAMINE MESILATE

Common Name

English

9,10-ETHANOANTHRACENE-9(10H)-METHANAMINE, N-METHYL-, METHANESULFONATE

Systematic Name

English

9,10-ETHANOANTHRACENE-9(10H)-METHANAMINE, N-METHYL-, METHANESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90995916

Created by admin on Sat Dec 16 18:08:16 UTC 2023 , Edited by admin on Sat Dec 16 18:08:16 UTC 2023

PRIMARY

PUBCHEM

74083969

Created by admin on Sat Dec 16 18:08:16 UTC 2023 , Edited by admin on Sat Dec 16 18:08:16 UTC 2023

PRIMARY

CAS

74401-28-8

Created by admin on Sat Dec 16 18:08:16 UTC 2023 , Edited by admin on Sat Dec 16 18:08:16 UTC 2023

PRIMARY

FDA UNII

IYQ3K620CD

Created by admin on Sat Dec 16 18:08:16 UTC 2023 , Edited by admin on Sat Dec 16 18:08:16 UTC 2023

PRIMARY

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