N-NITRO TETRADEHYDROARGATROBAN

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

Structure Search

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

Molecular Formula	C23H31N7O7S
Molecular Weight	549.6
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:33:46 UTC 2023` Edited by `admin` on `Sat Dec 16 18:33:46 UTC 2023`
Record UNII	86JF2UKF4B
Record Status	`Validated (UNII)`
Record Version

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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