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Details

Stereochemistry RACEMIC
Molecular Formula 3C12H19O4.Bi
Molecular Weight 890.811
Optical Activity ( + / - )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BISMUTH ETHYL CAMPHORATE

SMILES

[Bi+3].CCOC(=O)[C@]1(C)CC[C@H](C([O-])=O)C1(C)C.CCOC(=O)[C@]2(C)CC[C@H](C([O-])=O)C2(C)C.CCOC(=O)[C@]3(C)CC[C@H](C([O-])=O)C3(C)C

InChI

InChIKey=WQZQEQSQBAWPJO-HWEYHMQKSA-K
InChI=1S/3C12H20O4.Bi/c3*1-5-16-10(15)12(4)7-6-8(9(13)14)11(12,2)3;/h3*8H,5-7H2,1-4H3,(H,13,14);/q;;;+3/p-3/t3*8-,12+;/m111./s1

HIDE SMILES / InChI

Molecular Formula C12H19O4
Molecular Weight 227.2769
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Bi
Molecular Weight 208.9804
Charge 3
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 08:57:44 GMT 2023
Edited
by admin
on Sat Dec 16 08:57:44 GMT 2023
Record UNII
YG98F5M618
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BISMUTH ETHYL CAMPHORATE
MI  
Common Name English
BISMUTH ETHYL CAMPHORATE [MI]
Common Name English
1,2,2-TRIMETHYL-1,3-CYCLOPENTANEDICARBOXYLIC ACID BISMUTH(3+) SALT (3:1)
Systematic Name English
1,3-CYCLOPENTANEDICARBOXYLIC ACID, 1,2,2-TRIMETHYL-, 1-ETHYL ESTER, BISMUTH(3+) SALT (3:1)
Systematic Name English
1,3-CYCLOPENTANEDICARBOXYLIC ACID, 1,2,2-TRIMETHYL-, 1-ETHYL ESTER, BISMUTH(3+) SALT
Common Name English
Code System Code Type Description
MERCK INDEX
m1033
Created by admin on Sat Dec 16 08:57:44 GMT 2023 , Edited by admin on Sat Dec 16 08:57:44 GMT 2023
PRIMARY Merck Index
CAS
52951-37-8
Created by admin on Sat Dec 16 08:57:44 GMT 2023 , Edited by admin on Sat Dec 16 08:57:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID80722177
Created by admin on Sat Dec 16 08:57:44 GMT 2023 , Edited by admin on Sat Dec 16 08:57:44 GMT 2023
PRIMARY
PUBCHEM
120805
Created by admin on Sat Dec 16 08:57:44 GMT 2023 , Edited by admin on Sat Dec 16 08:57:44 GMT 2023
PRIMARY
FDA UNII
YG98F5M618
Created by admin on Sat Dec 16 08:57:44 GMT 2023 , Edited by admin on Sat Dec 16 08:57:44 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE