Calystegine B2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C7H13NO4
Molecular Weight	175.1824
Optical Activity	( + )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]1[C@H]2CC[C@](O)(N2)[C@@H](O)[C@@H]1O

InChI

InChIKey=FXFBVZOJVHCEDO-IBISWUOJSA-N

InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C7H13NO4
Molecular Weight	175.1824
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:34:49 GMT 2023` Edited by `admin` on `Sat Dec 16 15:34:49 GMT 2023`
Record UNII	7LZN33KW88
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Calystegine B2

Common Name

English

8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol, (1R,2S,3R,4S,5R)-

Systematic Name

English

(+)-Calystegine B2

Common Name

English

Calystegin B2

Common Name

English

Calystegine B2, (+)-

Common Name

English

Nortropanoline

Common Name

English

(1R,2S,3R,4S,5R)-8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol

Systematic Name

English

2-Epicalystegine B3

Common Name

English

(+)-Calystegin B2

Common Name

English

8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol, [1R-(2-endo,3-exo,4-endo)]-

Common Name

English

Code System Code Type Description

FDA UNII

7LZN33KW88

Created by admin on Sat Dec 16 15:34:49 GMT 2023 , Edited by admin on Sat Dec 16 15:34:49 GMT 2023

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CAS

127414-85-1

Created by admin on Sat Dec 16 15:34:49 GMT 2023 , Edited by admin on Sat Dec 16 15:34:49 GMT 2023

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PUBCHEM

124434

Created by admin on Sat Dec 16 15:34:49 GMT 2023 , Edited by admin on Sat Dec 16 15:34:49 GMT 2023

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EPA CompTox

DTXSID60925886

Created by admin on Sat Dec 16 15:34:49 GMT 2023 , Edited by admin on Sat Dec 16 15:34:49 GMT 2023

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