relcovaptan (Q7310905)

Relcovaptan (English)

3 October 2016

chemical formula

C₂₈H₂₇Cl₂N₃O₇S

1 reference

Relcovaptan (English)

3 October 2016

canonical SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2C(C(C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCCC5C(=O)N)OC

1 reference

Relcovaptan (English)

3 October 2016

isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2[C@H]([C@](C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCC[C@H]5C(=O)N)OC

1 reference

Relcovaptan (English)

physically interacts with

3 October 2016

1 reference

Arginine vasopressin receptor 1A

17 August 2016

antagonist

1 reference

Arginine vasopressin receptor 1B

17 August 2016

antagonist

1 reference

Arginine vasopressin receptor 2

17 August 2016

antagonist

1 reference

17 August 2016

platelet aggregation inhibitors

1 reference

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

MeSH descriptor ID

C082134

InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1

15 March 2018

Identifiers

InChI

1 reference

Relcovaptan (English)

3 October 2016

2 references

Relcovaptan (English)

3 October 2016

ChEBI release 2020-09-01

CAS Registry Number

150375-75-0

2 references

Global Substance Registration System

UNII

C1GL8G6G0O

RELCOVAPTAN (English)

3 October 2016

https://commonchemistry.cas.org/detail?cas_rn=150375-75-0

10 April 2021

1 reference

Relcovaptan (English)

3 October 2016

2 references

Relcovaptan (English)

3 October 2016

ChEBI ID

93701

mapping relation type

2 references

(2S)-1-[[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indol-2-yl]-oxomethyl]-2-pyrrolidinecarboxamide (English)

3 October 2016

International Chemical Identifier

InChI

InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1

1 reference

DSSTOX compound identifier

RELCOVAPTAN (English)

3 October 2016

1 reference

0 references

DTXCID9025746

0 references

1 reference

relcovaptan (English)

3 October 2016

3482

1 reference

5 February 2021

1 reference

Medical Subject Headings

14 March 2018

1 reference

UNII

C1GL8G6G0O

2 references

Global Substance Registration System

UNII

C1GL8G6G0O

RELCOVAPTAN (English)

3 October 2016