BROMOANHYDROTETRODOIC LACTONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H14BrN3O7
Molecular Weight	380.149
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BROMOANHYDROTETRODOIC LACTONE

Structure Search

SMILES

[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=HMRYQXULXRWZDD-OMHISGFOSA-N

InChI=1S/C11H14BrN3O7/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)/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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:49:24 GMT 2023` Edited by `admin` on `Sat Dec 16 11:49:24 GMT 2023`
Record UNII	X5863I12IM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BROMOANHYDROTETRODOIC LACTONE

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)-, (4R,4AR,5S,6R,7S,7AS,10S,10AS)-

Systematic Name

English

4,6-EPOXY-1H-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)-, (4R-(4.ALPHA.,4A.BETA.,5.BETA.,6.ALPHA.,7.BETA.,7A.ALPHA.,10.BETA.,10AS*))-

Systematic Name

English

BROMOANHYDROTETRODIOIC LACTONE

Common Name

English

Code System Code Type Description

FDA UNII

X5863I12IM

Created by admin on Sat Dec 16 11:49:24 GMT 2023 , Edited by admin on Sat Dec 16 11:49:24 GMT 2023

PRIMARY

PUBCHEM

123133529

Created by admin on Sat Dec 16 11:49:24 GMT 2023 , Edited by admin on Sat Dec 16 11:49:24 GMT 2023

PRIMARY

CAS

47179-57-7

Created by admin on Sat Dec 16 11:49:24 GMT 2023 , Edited by admin on Sat Dec 16 11:49:24 GMT 2023

PRIMARY

Related Record Type Details


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BROMOANHYDROTETRODIOIC LACTONE HYDROBROMIDE

SALT/SOLVATE -> PARENT