BB-1502 DI-ISETHIONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H21N5O.2C2H6O4S
Molecular Weight	527.613
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OCCS(O)(=O)=O.OCCS(O)(=O)=O.CCCOC1=NC2=C(N=CN2C3CCCCC3)C(N)=N1

InChI

InChIKey=KHYORLCZSUCUMB-UHFFFAOYSA-N

InChI=1S/C14H21N5O.2C2H6O4S/c1-2-8-20-14-17-12(15)11-13(18-14)19(9-16-11)10-6-4-3-5-7-10;2*3-1-2-7(4,5)6/h9-10H,2-8H2,1H3,(H2,15,17,18);2*3H,1-2H2,(H,4,5,6)

HIDE SMILES / InChI

Molecular Formula	C14H21N5O
Molecular Weight	275.3494
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C2H6O4S
Molecular Weight	126.132
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 18:51:34 GMT 2023` Edited by `admin` on `Sat Dec 16 18:51:34 GMT 2023`
Record UNII	RX2RUU4M1W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BB-1502 DI-ISETHIONATE

Code

English

ETHANESULFONIC ACID, 2-HYDROXY-, COMPD. WITH 9-CYCLOHEXYL-2-PROPOXY-9H-PURIN-6-AMINE (2:1)

Systematic Name

English

9H-PURIN-6-AMINE, 9-CYCLOHEXYL-2-PROPOXY-, BIS(2-HYDROXYETHANESULFONATE)

Systematic Name

English

Code System Code Type Description

FDA UNII

RX2RUU4M1W

Created by admin on Sat Dec 16 18:51:34 GMT 2023 , Edited by admin on Sat Dec 16 18:51:34 GMT 2023

PRIMARY

CAS

77429-77-7

Created by admin on Sat Dec 16 18:51:34 GMT 2023 , Edited by admin on Sat Dec 16 18:51:34 GMT 2023

PRIMARY

PUBCHEM

13241186

Created by admin on Sat Dec 16 18:51:34 GMT 2023 , Edited by admin on Sat Dec 16 18:51:34 GMT 2023

PRIMARY

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