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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H31N7O7S
Molecular Weight 549.6
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-NITRO TETRADEHYDROARGATROBAN

SMILES

C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(=N)N[N+]([O-])=O)NS(=O)(=O)C2=CC=CC3=C2N=CC(C)=C3

InChI

InChIKey=XBDLKMBSCAVLDV-FHLIZLRMSA-N
InChI=1S/C23H31N7O7S/c1-14-8-10-29(18(12-14)22(32)33)21(31)17(6-4-9-25-23(24)27-30(34)35)28-38(36,37)19-7-3-5-16-11-15(2)13-26-20(16)19/h3,5,7,11,13-14,17-18,28H,4,6,8-10,12H2,1-2H3,(H,32,33)(H3,24,25,27)/t14-,17+,18-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-NITRO TETRADEHYDROARGATROBAN
Systematic Name English
N-NITRO TETRADEHYDROARGATROBAN [USP IMPURITY]
Common Name English
2-Piperidinecarboxylic acid, 1-[(2S)-5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, (2R,4R)-
Systematic Name English
(2R,4R)-1-(N8-NITRO- N2-(3-METHYLQUINOLINE-8-SULFONYL)-L-ARGINYL)-4-METHYLPIPERIDINE-2-CARBOXYLIC ACID
Systematic Name English
1-(N8-NITRO- N2-(3-METHYLQUINOLINE-8-SULFONYL)-L-ARGINYL)-4-METHYLPIPERIDINE-2-CARBOXYLIC ACID, (2R,4R)-
Systematic Name English
ARGATROBAN RELATED COMPOUND A [USP-RS]
Common Name English
ARGATROBAN RELATED COMPOUND A [USP IMPURITY]
Common Name English
2-Piperidinecarboxylic acid, 1-[5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, [2R-[1(S*),2α,4β]]-
Systematic Name English
(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid
Systematic Name English
Code System Code Type Description
CAS
74874-10-5
Created by admin on Sat Dec 16 18:33:46 GMT 2023 , Edited by admin on Sat Dec 16 18:33:46 GMT 2023
PRIMARY
CAS
74872-83-6
Created by admin on Sat Dec 16 18:33:46 GMT 2023 , Edited by admin on Sat Dec 16 18:33:46 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
RS_ITEM_NUM
1042419
Created by admin on Sat Dec 16 18:33:46 GMT 2023 , Edited by admin on Sat Dec 16 18:33:46 GMT 2023
PRIMARY
FDA UNII
86JF2UKF4B
Created by admin on Sat Dec 16 18:33:46 GMT 2023 , Edited by admin on Sat Dec 16 18:33:46 GMT 2023
PRIMARY
PUBCHEM
57514094
Created by admin on Sat Dec 16 18:33:46 GMT 2023 , Edited by admin on Sat Dec 16 18:33:46 GMT 2023
PRIMARY