U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34N6O6S
Molecular Weight 558.65
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAPSAGATRAN ANHYDROUS

SMILES

NC(=N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)C2=CC=C3C=CC=CC3=C2)C(=O)N(CC(O)=O)C4CC4)C1

InChI

InChIKey=BYDKEYCXCIVOOV-JTSKRJEESA-N
InChI=1S/C26H34N6O6S/c27-26(28)31-11-3-4-17(15-31)14-29-23(33)13-22(25(36)32(16-24(34)35)20-8-9-20)30-39(37,38)21-10-7-18-5-1-2-6-19(18)12-21/h1-2,5-7,10,12,17,20,22,30H,3-4,8-9,11,13-16H2,(H3,27,28)(H,29,33)(H,34,35)/t17-,22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NAPSAGATRAN ANHYDROUS
Common Name English
GLYCINE, N-(N-((1-(AMINOIMINOMETHYL)-3-PIPERIDINYL)METHYL)-N2-(2-NAPHTHALENYLSULFONYL)-L-ASPARAGINYL)-N-CYCLOPROPYL-, (S)-
Common Name English
napsagatran [INN]
Common Name English
GLYCINE, N-(((3S)-1-(AMINOIMINOMETHYL)-3-PIPERIDINYL)METHYL)-N2-(2-NAPHTHALENYLSULFONYL)-L-ASPARAGINYL-N-CYCLOPROPYL-
Systematic Name English
RO 46-6240
Code English
Classification Tree Code System Code
NCI_THESAURUS C263
Created by admin on Sat Dec 16 01:53:05 UTC 2023 , Edited by admin on Sat Dec 16 01:53:05 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID60873338
Created by admin on Sat Dec 16 01:53:05 UTC 2023 , Edited by admin on Sat Dec 16 01:53:05 UTC 2023
PRIMARY
FDA UNII
84K87A0AJE
Created by admin on Sat Dec 16 01:53:05 UTC 2023 , Edited by admin on Sat Dec 16 01:53:05 UTC 2023
PRIMARY
PUBCHEM
6918278
Created by admin on Sat Dec 16 01:53:05 UTC 2023 , Edited by admin on Sat Dec 16 01:53:05 UTC 2023
PRIMARY
EVMPD
SUB09161MIG
Created by admin on Sat Dec 16 01:53:05 UTC 2023 , Edited by admin on Sat Dec 16 01:53:05 UTC 2023
PRIMARY
NCI_THESAURUS
C132279
Created by admin on Sat Dec 16 01:53:05 UTC 2023 , Edited by admin on Sat Dec 16 01:53:05 UTC 2023
PRIMARY
CAS
154397-77-0
Created by admin on Sat Dec 16 01:53:05 UTC 2023 , Edited by admin on Sat Dec 16 01:53:05 UTC 2023
PRIMARY
INN
7308
Created by admin on Sat Dec 16 01:53:05 UTC 2023 , Edited by admin on Sat Dec 16 01:53:05 UTC 2023
PRIMARY