MDL-74405

Details

Stereochemistry	EPIMERIC
Molecular Formula	C18H30NO2.C7H7O3S
Molecular Weight	463.63
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CC2=C(O)C(C)=C3CC[C@@](C)(CC[N+](C)(C)C)OC3=C2C

InChI

InChIKey=OCKUZZXXLQTSON-FERBBOLQSA-N

InChI=1S/C18H29NO2.C7H8O3S/c1-12-13(2)17-15(14(3)16(12)20)8-9-18(4,21-17)10-11-19(5,6)7;1-6-2-4-7(5-3-6)11(8,9)10/h8-11H2,1-7H3;2-5H,1H3,(H,8,9,10)/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C7H7O3S
Molecular Weight	171.194
Charge	-1
Count

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

Molecular Formula	C18H30NO2
Molecular Weight	292.4363
Charge	1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:01:14 GMT 2025` Edited by `admin` on `Mon Mar 31 18:01:14 GMT 2025`
Record UNII	V38C3R6QLT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MDL-74405

Code

English

2H-1-BENZOPYRAN-2-ETHANAMINIUM, 3,4-DIHYDRO-6-HYDROXY-N,N,N,2,5,7,8-HEPTAMETHYL-, (2S)-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1)

Preferred Name

English

2H-1-BENZOPYRAN-2-ETHANAMINIUM, 3,4-DIHYDRO-6-HYDROXY-N,N,N,2,5,7,8-HEPTAMETHYL-, (S)-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1)

Common Name

English

3,4-DIHYDRO-6-HYDROXY-N,N,N,2,5,7,8-HEPTAMETHYL-2H-1-BENZOPYRAN-2-ETHANAMINIUM 4-METHYLBESYLATE,D-

Common Name

English

Code System Code Type Description

FDA UNII

V38C3R6QLT

Created by admin on Mon Mar 31 18:01:15 GMT 2025 , Edited by admin on Mon Mar 31 18:01:15 GMT 2025

PRIMARY

CAS

146832-01-1

Created by admin on Mon Mar 31 18:01:15 GMT 2025 , Edited by admin on Mon Mar 31 18:01:15 GMT 2025

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PUBCHEM

9934120

Created by admin on Mon Mar 31 18:01:15 GMT 2025 , Edited by admin on Mon Mar 31 18:01:15 GMT 2025

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