syrosingopine (Q27164011)

syrosingopine (English)

9 October 2016

chemical formula

C₃₅H₄₂N₂O₁₁

1 reference

syrosingopine (English)

19 November 2016

canonical SMILES

CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)OC2CC3CN4CCC5=C(C4CC3C(C2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC

1 reference

syrosingopine (English)

19 November 2016

isomeric SMILES

CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC

1 reference

syrosingopine (English)

InChI=1S/C35H42N2O11/c1-7-46-35(40)48-31-26(42-3)12-18(13-27(31)43-4)33(38)47-28-14-19-17-37-11-10-22-21-9-8-20(41-2)15-24(21)36-30(22)25(37)16-23(19)29(32(28)44-5)34(39)45-6/h8-9,12-13,15,19,23,25,28-29,32,36H,7,10-11,14,16-17H2,1-6H3/t19-,23+,25-,28-,29+,32+/m1/s1

19 November 2016

Identifiers

InChI

1 reference

syrosingopine (English)

ZCDNRPPFBQDQHR-SSYATKPKSA-N

19 November 2016

InChIKey

2 references

syrosingopine (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

84-36-6

2 references

Global Substance Registration System

https://commonchemistry.cas.org/detail?cas_rn=84-36-6

syrosingopine (English)

19 November 2016

7 April 2021

InChIKey

ZCDNRPPFBQDQHR-SSYATKPKSA-N

1 reference

syrosingopine (English)

19 November 2016

1 reference

syrosingopine (English)

19 November 2016

ChEBI ID

32175

mapping relation type

exact match

1 reference

ChEBI release 2019-10-02

1 reference

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

SYROSINGOPINE (English)

19 November 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

0 references

201-527-0

1 reference

Global Substance Registration System

syrosingopine (English)

ECHA Substance Infocard ID

19 November 2016

100.001.388

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.388

27 December 2018

Syrosingopine (English)

quotation

CAS no.: 84-36-6 (English)

1 reference

Global Substance Registration System