Basic information
- CAS
131403-82-2- Standard SMILES
COc1ccc(C2=C(OC(=O)N(C)C)c3cccn3-c3ccccc3S2)cc1- InChIKey
RGAJIKNGJBAVQP-UHFFFAOYSA-N- Molecular formula
- C22H20N2O3S
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.11946368
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol N,N-dimethylcarbamate
- IUPAC
- [6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamate
- English name
- 5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol N,N-dimethylcarbamate
- Molecular formula
- C22H20N2O3S
- Molecular weight
- 392.47
Names & synonyms
5-(4-Methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-4-ol N,N-dimethylcarbamate5-(4-Methoxyphenyl)pyrrolo(2,1-d)(1,5)benzothiazepin-4-ol N,N-dimethylcarbamateRefChem:530448634-160-3131403-82-2[6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] N,N-dimethylcarbamateCHEMBL330966-(4-Methoxyphenyl)benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl dimethylcarbamateDTXSID70274332BDBM500415056-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamateDimethyl-carbamic acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-benzo[e]azulen-4-yl ester
Show more names
NF 515-(4-METHOXYPHENYL)PYRROLO (2,1-D)*(1,5) BENZOTHIAZCarbamic acid, N,N-dimethyl-, 6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl ester
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- Off-white solid.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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 39 reports by companies from 2 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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers17 total
苏州诺行贸易有限公司[email protected]
深圳欣博盛生物科技有限公司[email protected]
ALEXIS[email protected]
广州伟伯科技有限公司[email protected]
厦门研科生物技术有限公司[email protected]
北京泰泽嘉业科技发展有限公司—
上海熹垣生物科技有限公司021-58116080 18019263206 · [email protected]
厦门慧嘉生物科技有限公司—
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
北京孚博生物科技有限公司010-57263844 13260236521 · [email protected]
上海瑶韵生物科技有限公司[email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
SIGMA—
上海子起生物科技有限公司400-811-9081 13681619662 · [email protected]
上海恪敏生物科技有限公司18021003406 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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