Basic information
- CAS
174575-17-8- Standard SMILES
N[C@@H](Cc1cc(CP(=O)(O)O)cc(-c2ccccc2Cl)c1)C(=O)O- InChIKey
VBRJFXSFCYEZMQ-HNNXBMFYSA-N- Molecular formula
- C16H17ClNO5P
- Average molar mass
- 369.73 g/mol
- Monoisotopic mass
- 369.0532873
Overview
structure given in first source; RN given refers to (S)-isomer
Names & identifiers
- Preferred name
- (alphaS)-alpha-Amino-2'-chloro-5-(phosphonomethyl)(1,1'-biphenyl)-3-propanoic acid
- IUPAC
- (2S)-2-amino-3-[3-(2-chlorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid
- English name
- SDZ 220-581
- Molecular formula
- C16H17ClNO5P
- Molecular weight
- 369.74
Names & synonyms
174575-17-8Sdz-220-581alpha-Amino-2'-chloro-5-(phosphonomethyl)(1,1'-biphenyl)-3-propanoic acidDTXSID301146157RefChem:405767DTXCID201577737(alphaS)-alpha-Amino-2'-chloro-5-(phosphonomethyl)(1,1'-biphenyl)-3-propanoic acidSdz 220-581(2S)-2-amino-3-[3-(2-chlorophenyl)-5-(phosphonomethyl)phenyl]propanoic acidC16H17ClNO5PSDZ220-581NCGC00025079-01
Show more names
SDZ 220581,SDZ 220 581(S)-α-Amino-2'-chloro-5-(phosphonomethyl)[1,1'-biphenyl]-3-propanoicacid[1,1'-Biphenyl]-3-propanoic acid, α-amino-2'-chloro-5-(phosphonomethyl)-, (αS)-
Tocris-1250Biomol-NT_000193(s)-alpha-amino-2'-chloro-5-(phosphonomethyl)[1,1'-biphenyl]-3-propanoic acidBPBio1_001218orb1708543SCHEMBL2394195CHEMBL1331280SCHEMBL29369964
Database identifiers
- CAS
174575-17-8
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Boiling point
- 613.3 · 613.3±65.0 °C(Predicted)
- Density
- 1.478 · 1.478
- storage temp.
- Store at RT
- solubility
- 8.57 mg/mL · DMSO : 8.57 mg/mL (23.18 mM; Need ultrasonic and warming)
- form
- Powder
- pka
- 1.63 · 1.63±0.10(Predicted)
- color
- Light yellow to yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesSDZ 220-581 is a competitive NMDA receptor antagonist.
Suppliers26 total
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海拓朴医药科技有限公司+86 (21) 5196-9732
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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