Basic information
- CAS
5150-64-1- Standard SMILES
CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CC(O)C2O- InChIKey
ZORQMBLUMWNJEQ-UHFFFAOYSA-N- Molecular formula
- C18H24O6S
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.12935965
Names & identifiers
- Preferred name
- 16,17-Dihydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate
- IUPAC
- (16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) hydrogen sulfate
- English name
- 1,3,5[10]-Estratriene-3,16alpha,17beta-triol 3-sulfate sodium salt
- Molecular formula
- C18H25NaO6S
- Molecular weight
- 392.44
Names & synonyms
16,17-Dihydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate5150-64-1NSC 246095RefChem:197150NL7KCD6LFUUNII-NL7KCD6LFUEstriol sodium 3-sulfate(16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) hydrogen sulfateNSC246095NS00004489Estriol-D6 sulfateESTRIOL 3-SULFATE SODIUM
Show more names
JHJBSZBEDQZYJP-OBXBXFETSA-MESTRIOL 3-SULFATE SODIUM SALTESTRIOL 3-SULPHATE, SODIUM SALToestriol 3-sulfate, sodium salt1,3,5(10)-estratriene-3,16α,17β-triol 3-sulfate3,16α,17β-Trihydroxy-1,3,5(10)-estratriene 3-sulfate3,16α,17β-Trihydroxy-1,3,5(10)-Estratriene 3-Sulphatesodium 16α,17β-dihydroxy-1,3,5(10)-estradien-3-yl sulfate
Database identifiers
- CAS
5150-64-1- PubChem CID
- 429045
- EC Number
- 637-100-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 616
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 7 KCD6LFU · NL7KCD6LFU
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 351 · H351
- Precautionary statements
- 281 · P281
- Hazard Codes
- Xn
- Risk Statements
- 40 · 40
- Safety Statements
- 22 · 22-36
- 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
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, 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.
Hazard information
Hazard Classes and CategoriesCarc. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 40
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 22-36
- Hazard statements
- H351
- Precautionary statements
- P281
Chemistry & industry
Applications
UsesEstriol-d3 3-O-Sulfate Sodium Salt is the labeled analogue of Estriol 3-O-Sulfate Sodium Salt (E888990), a derivative of Estriol (E888960); a metabolite of Estradiol that is considerably less potent than Estradiol itself.
Suppliers15 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [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]
上海维亦特生物科技有限公司15317051735 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
韶关新润合生物科技有限公司19022763608 19022763608 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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