APADENOSON

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30N6O6
Molecular Weight	486.5209
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=C(N=C3N)C#CC[C@H]4CC[C@@H](CC4)C(=O)OC

InChI

InChIKey=FLEVIENZILQUKB-XTWQNQIISA-N

InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H30N6O6
Molecular Weight	486.5209
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:16:16 UTC 2023` Edited by `admin` on `Fri Dec 15 16:16:16 UTC 2023`
Record UNII	BTS1Y6777M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APADENOSON

Official Name

English

METHYL TRANS-4-(3(6-AMINO-9-(N-ETHYL-.BETA.-D-RIBOFURANOSYLURONAMIDE)-9H-PURIN-2-YL)PROP-2-YNYL)CYCLOHEXANECARBOXYLATE

Systematic Name

English

BMS-068645

Code

English

Apadenoson [WHO-DD]

Common Name

English

BMS068645

Code

English

APADENOSON [USAN]

Common Name

English

CYCLOHEXANECARBOXYLIC ACID, 4-(3(6-AMINO-9-(N-ETHYL-.BETA.-D-RIBOFURANURONAMIDOSYL)-9H-PURIN-2-YL)-2-PROPNYL)-, METHYL ESTER, TRANS-

Systematic Name

English

DWH-146E

Code

English

apadenoson [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29707