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Basic information
- CAS
42438-90-4- Standard SMILES
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)CN1- InChIKey
FSNCEEGOMTYXKY-JTQLQIEISA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987762
Overview
cyclomethyltryptophan has been reported in Taraxacum formosanum, Streptomyces, and other organisms with data available.
Names & identifiers
- Preferred name
- (3S)-1H,2H,3H,4H,9H-pyrido(3,4-b)indole-3-carboxylic acid
- IUPAC
- (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Names & synonyms
(3S)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid(3S)-1H,2H,3H,4H,9H-pyrido(3,4-b)indole-3-carboxylic acidRefChem:401209868-990-442438-90-4L-1,2,3,4-Tetrahydronorharman-3-carboxylic acidLycoperodine-1CYCLOMETHYLTRYPTOPHAN(S)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACIDH-Tpi-OHL-Tpi-OH(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Show more names
MFCD00272641EN300-312396Q27466042(3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acidL-1,2,3,4-tetrahydronorharmane-3-carboxylic acid3-Carboxy-1,2,3,4-tetrahydro-2-carbolineBIDD:GT0550SCHEMBL416557
Database identifiers
- CAS
42438-90-4- PubChem CID
- 449440
- DTXSID
DTXSID40962491- ChEMBL
CHEMBL155546- EC Number
- 868-990-4
- Nikkaji
- J261.142B
Properties
Computed structural propertiesFilling in
- XLogP
- -1.2
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
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 2 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%)
Chemistry & industry
Suppliers18 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
深圳市奇美克生物科技有限公司13692196024 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Related reactions
8 records
Compound notes
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