(21S)-argatroban hydrate (Q27283056)

UNII-LLV7G55828 (English)

(21R)-argatroban monohydrate

14 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₈N₆O₆S

1 reference

UNII-LLV7G55828 (English)

14 October 2016

canonical SMILES

CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C.O

1 reference

UNII-LLV7G55828 (English)

14 October 2016

isomeric SMILES

C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NC[C@H](C3)C.O

1 reference

UNII-LLV7G55828 (English)

InChI=1S/C23H36N6O5S.H2O/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19;/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26);1H2/t14-,15+,17+,18-;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

UNII-LLV7G55828 (English)

AIEZTKLTLCMZIA-RZLLGALYSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-LLV7G55828 (English)

14 October 2016

1 reference

UNII

LLV7G55828

(21S)-argatroban (English)

14 October 2016

1 reference

(2R,4R)-4-Methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydro-8-quinolinyl]sulfonyl}arginyl)-2-piperidinecarboxylic acid hydrate (1:1) (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-LLV7G55828 (English)

14 October 2016

1 reference

1 reference

UNII

LLV7G55828

(21S)-argatroban (English)