CETIEDIL CITRATE, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H31NO2S.C6H8O7
Molecular Weight	541.654
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.O=C(OCCN1CCCCCC1)[C@@H](C2CCCCC2)C3=CSC=C3

InChI

InChIKey=XMGJGSKRRWXOIF-FYZYNONXSA-N

InChI=1S/C20H31NO2S.C6H8O7/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h10,15-17,19H,1-9,11-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t19-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C6H8O7
Molecular Weight	192.1235
Charge	0
Count

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

Molecular Formula	C20H31NO2S
Molecular Weight	349.531
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:16:53 GMT 2023` Edited by `admin` on `Sat Dec 16 02:16:53 GMT 2023`
Record UNII	BNV040JCIA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CETIEDIL CITRATE, (S)-

Common Name

English

3-THIOPHENEACETIC ACID, .ALPHA.-CYCLOHEXYL-, 2-(HEXAHYDRO-1H-AZEPIN-1-YL)ETHYL ESTER, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1), (S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

BNV040JCIA

Created by admin on Sat Dec 16 02:16:54 GMT 2023 , Edited by admin on Sat Dec 16 02:16:54 GMT 2023

PRIMARY

PUBCHEM

76966889

Created by admin on Sat Dec 16 02:16:54 GMT 2023 , Edited by admin on Sat Dec 16 02:16:54 GMT 2023

PRIMARY

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