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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 of BUTAMIRATE CITRATE, (S)-

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
  • Download
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
Related Record Type Details
RACEMATE -> ENANTIOMER