(Q27140417)

I-AB-MECA (English)

7 October 2016

C₁₈H₂₀IN₇O₄

1 reference

I-AB-MECA (English)

20 November 2016

CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=C(C=C4)N)I)O)O

1 reference

I-AB-MECA (English)

20 November 2016

CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3NCC4=CC(=C(C=C4)N)I)O)O

1 reference

I-AB-MECA (English)

InChI=1S/C18H20IN7O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-2-3-10(20)9(19)4-8/h2-4,6-7,12-14,18,27-28H,5,20H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18+/m0/s1

20 November 2016

Identifiers

InChI

1 reference

I-AB-MECA (English)

20 November 2016

2 references

Global Substance Registration System

I-AB-MECA (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

152918-27-9

1 reference

stated in

UNII

9WR19428J3

i-ab-meca (English)

20 November 2016

1 reference

(2S,3S,4R,5R)-5-{6-[(4-Amino-3-iodobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydro-2-furancarboxamide (English)

20 November 2016

2 references

I-AB-MECA (English)

20 November 2016

InChIKey

Reaxys registry number

6832347

1 reference

3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine (English)

7 October 2016

ChEBI ID

73285

mapping relation type

2 references

CHEMBL133566 (English)

20 November 2016

International Chemical Identifier

InChI

InChI=1S/C18H20IN7O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-2-3-10(20)9(19)4-8/h2-4,6-7,12-14,18,27-28H,5,20H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18+/m0/s1

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL133566 (English)

20 November 2016

1 reference

2 references

InChIKey

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

9WR19428J3

i-ab-meca (English)

20 November 2016

InChIKey