CGS-21680 H-3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H29N7O6
Molecular Weight	507.5521
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[3H]C([3H])(C(O)=O)C([3H])([3H])C1=CC=C(CCNC2=NC3=C(N=CN3[C@@H]4O[C@@H]([C@@H](O)[C@H]4O)C(=O)NCC)C(N)=N2)C=C1

InChI

InChIKey=PAOANWZGLPPROA-WYVUJEIXSA-N

InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1/i7T2,8T2

HIDE SMILES / InChI

Molecular Formula	C23H29N7O6
Molecular Weight	507.5521
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:22:50 UTC 2023` Edited by `admin` on `Sat Dec 16 18:22:50 UTC 2023`
Record UNII	P94ZFU28XH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CGS-21680 H-3

Code

English

[3H]CGS-21680

Common Name

English

Benzenepropanoic-α,α,β,β-t4 acid, 4-[2-[[6-amino-9-(N-ethyl-β-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]-

Systematic Name

English

CGS 21680, [Carboxyethyl-3H(N)]-,

Code

English

Code System Code Type Description

FDA UNII

P94ZFU28XH

Created by admin on Sat Dec 16 18:22:50 UTC 2023 , Edited by admin on Sat Dec 16 18:22:50 UTC 2023

PRIMARY

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