BUTAMIRATE CITRATE, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H29NO3.C6H8O7
Molecular Weight	499.5513
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.CC[C@H](C(=O)OCCOCCN(CC)CC)C1=CC=CC=C1

InChI

InChIKey=JVKMHUAWFDGPTF-LMOVPXPDSA-N

InChI=1S/C18H29NO3.C6H8O7/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,17H,4-6,12-15H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t17-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C18H29NO3
Molecular Weight	307.4278
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:22:12 GMT 2023` Edited by `admin` on `Sat Dec 16 10:22:12 GMT 2023`
Record UNII	367U1JF3JV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUTAMIRATE CITRATE, (S)-

Common Name

English

BENZENEACETIC ACID, .ALPHA.-ETHYL-, 2-(2-(DIETHYLAMINO)ETHOXY)ETHYL ESTER, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1), (S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

76960531

Created by admin on Sat Dec 16 10:22:12 GMT 2023 , Edited by admin on Sat Dec 16 10:22:12 GMT 2023

PRIMARY

CAS

133961-96-3

Created by admin on Sat Dec 16 10:22:12 GMT 2023 , Edited by admin on Sat Dec 16 10:22:12 GMT 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

367U1JF3JV

Created by admin on Sat Dec 16 10:22:12 GMT 2023 , Edited by admin on Sat Dec 16 10:22:12 GMT 2023

PRIMARY

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