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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14BrN3O7.BrH
Molecular Weight 461.061
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROMOANHYDROTETRODIOIC LACTONE HYDROBROMIDE

SMILES

Br.[H][C@]12OC(=O)[C@@H](O)[C@]13NC(N)=N[C@@H]4O[C@@](CO)([C@H](O)[C@]34Br)[C@H]2O

InChI

InChIKey=FVUDRGVUPXGXBQ-HDMVHYSHSA-N
InChI=1S/C11H14BrN3O7.BrH/c12-10-6(20)9(1-16)2(17)4-11(10,3(18)5(19)21-4)15-8(13)14-7(10)22-9;/h2-4,6-7,16-18,20H,1H2,(H3,13,14,15);1H/t2-,3+,4+,6-,7+,9+,10+,11-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C11H14BrN3O7
Molecular Weight 380.149
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula BrH
Molecular Weight 80.912
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 13:05:29 GMT 2023
Edited
by admin
on Sat Dec 16 13:05:29 GMT 2023
Record UNII
32G511ET65
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROMOANHYDROTETRODIOIC LACTONE HYDROBROMIDE
Common Name English
TETRODOIC ACID, ANHYDROBROMO-, LACTONE, MONOHYDROBROMIDE
Common Name English
TETRODOIC ACID, BROMOANHYDRO-, LACTONE, HYDROBROMIDE
Common Name English
BROMOANHYDROTETRODOIC LACTONE HYDROBROMIDE
Common Name English
4,6-EPOXY-3H-FURO(2,3-I)QUINAZOLIN-9(10H)-ONE, 2-AMINO-4A-BROMO-4,4A,5,6,7,7A-HEXAHYDRO-5,7,10-TRIHYDROXY-6-(HYDROXYMETHYL)-, HYDROBROMIDE (1:1), (4R,4AR,5S,6R,7S,7AS,10S,10AS)-
Systematic Name English
Code System Code Type Description
CAS
5026-02-8
Created by admin on Sat Dec 16 13:05:29 GMT 2023 , Edited by admin on Sat Dec 16 13:05:29 GMT 2023
PRIMARY
PUBCHEM
123133528
Created by admin on Sat Dec 16 13:05:29 GMT 2023 , Edited by admin on Sat Dec 16 13:05:29 GMT 2023
PRIMARY
FDA UNII
32G511ET65
Created by admin on Sat Dec 16 13:05:29 GMT 2023 , Edited by admin on Sat Dec 16 13:05:29 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE