(2R)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]hexanoate

HCID 105071
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Substructure searchFind similar structures

Basic information

CAS
83462-55-9
Standard SMILES
N[C@H](CCCC[n+]1cc(O)c(C[C@H](N)C(=O)O)c(CC[C@H](N)C(=O)O)c1)C(=O)[O-]
InChIKey
ZAHDXEIQWWLQQL-RDBSUJKOSA-N
Molecular formula
C18H28N4O7
Average molar mass
412.4 g/mol

Names & identifiers

Preferred name
(2R)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]hexanoate
IUPAC
(2R)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]hexanoate
English name
Deoxypyridinoline
Molecular formula
C18H28N4O7
Molecular weight
412.44

Names & synonyms

90032-33-0(2R)-2-amino-6-[4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridin-1-ium-1-yl]hexanoateUNII-GXI9WV7IP9SCHEMBL29355391ZAHDXEIQWWLQQL-RDBSUJKOSA-NAKOS040751530NS00127112T31382Q1200841D-PyrDpd. TFA saltDeoxypyridinoline
Show more names
LysylpyridinolineDEOXYPYRIDINOLINE USP/EP/BP(+)-Deoxypyridinoline. TFA saltDesoxypyridinoline DISCONTINUED. OFFER D2499004-[(2S)-2-Amino-2-carboxyethyl]-1-[(5S)-5-amino-5-carboxylatopentyl]-3-[(3S)-3-amino-3-carboxypropyl]-5-hydroxypyridinium1-[(5S)-5-Amino-5-carboxylatopentyl]-3-[(3S)-3-amino-3-carboxypropyl]-4-[(2S)-2-amino-2-carboxyethyl]-5-hydroxypyridinium

Database identifiers

CAS
83462-55-9、90032-33-0
PubChem CID
105071

Properties

Computed structural properties

XLogP
-7.6
Topological polar surface area
217 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
10
Rotatable bonds
12
Heavy atoms
29

Physicochemical properties

form
Solid
pka
1.869 · 1.869±0.10(predicted)
color
Light yellow to yellow
FDA UNII
9 WV7IP9 · GXI9WV7IP9

Chemistry & industry

Applications

UsesA colagen cross-links agent.

Suppliers15 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Sichuan Jiaying Lai Technology Co.,LTD18716376478 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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